
 AC1L1EMH

 83 85  0  0  0  0  0  0  0  0999 V2000
    9.3501    0.4528    2.5198 C   0  0  0  0  0
    7.9781    0.5132    3.0056 N   0  0  0  0  0
    7.5317    1.9034    3.1472 C   0  0  0  0  0
    6.0868    1.9495    3.6598 C   0  0  0  0  0
    5.5878    3.3659    3.8134 C   0  0  0  0  0
    4.9161    4.0019    2.7610 C   0  0  0  0  0
    4.4162    5.3138    2.8877 C   0  0  0  0  0
    4.6715    6.0157    4.0790 C   0  0  0  0  0
    5.3422    5.3818    5.1321 C   0  0  0  0  0
    5.7939    4.0673    5.0021 C   0  0  0  0  0
    4.2266    7.3090    4.1431 O   0  0  0  0  0
    4.9070    8.1692    5.0501 C   0  0  0  0  0
    3.6260    5.9263    1.7377 C   0  0  0  0  0
    2.1489    5.5619    1.6950 C   0  0  0  0  0
    1.7759    4.2171    1.5127 C   0  0  0  0  0
    0.4354    3.8286    1.4241 C   0  0  0  0  0
   -0.5575    4.8079    1.4971 C   0  0  0  0  0
   -0.2341    6.1658    1.6518 C   0  0  0  0  0
    1.1236    6.5285    1.7628 C   0  0  0  0  0
    1.4603    7.8573    1.8359 O   0  0  0  0  0
    1.4818    8.3108    3.1898 C   0  0  0  0  0
   -1.3651    7.1728    1.6579 C   0  0  0  0  0
   -1.7525    7.7052    0.2929 C   0  0  0  0  0
   -2.7109    7.0649   -0.5140 C   0  0  0  0  0
   -3.0474    7.6176   -1.7543 C   0  0  0  0  0
   -2.4370    8.7933   -2.2001 C   0  0  0  0  0
   -1.4801    9.4380   -1.4130 C   0  0  0  0  0
   -1.1348    8.8791   -0.1769 C   0  0  0  0  0
   -0.8173   10.7072   -1.8892 C   0  0  0  0  0
    0.4515   10.4226   -2.7018 C   0  0  0  0  0
    1.0604   11.6808   -3.1513 N   0  0  0  0  0
    2.2672   11.4259   -3.9262 C   0  0  0  0  0
   -3.2876    5.9343    0.0042 O   0  0  0  0  0
   -4.0052    5.1031   -0.8987 C   0  0  0  0  0
    0.0691    2.3841    1.1844 C   0  0  0  0  0
   -0.0683    2.0839   -0.3145 C   0  0  0  0  0
   -0.4312    0.6782   -0.5291 N   0  0  0  0  0
   -0.5609    0.3879   -1.9509 C   0  0  0  0  0
    9.6515   -0.5937    2.4101 H   0  0  0  0  0
   10.0443    0.9319    3.2178 H   0  0  0  0  0
    9.4441    0.9269    1.5376 H   0  0  0  0  0
    7.9203    0.0424    3.9084 H   0  0  0  0  0
    7.5907    2.4130    2.1775 H   0  0  0  0  0
    8.1880    2.4396    3.8442 H   0  0  0  0  0
    6.0093    1.4351    4.6269 H   0  0  0  0  0
    5.4238    1.4031    2.9760 H   0  0  0  0  0
    4.7713    3.4609    1.8276 H   0  0  0  0  0
    5.5146    5.8854    6.0776 H   0  0  0  0  0
    6.3059    3.5964    5.8380 H   0  0  0  0  0
    4.6179    9.1977    4.8136 H   0  0  0  0  0
    5.9943    8.0960    4.9385 H   0  0  0  0  0
    4.6004    7.9670    6.0809 H   0  0  0  0  0
    4.0785    5.6014    0.7899 H   0  0  0  0  0
    3.7658    7.0130    1.7341 H   0  0  0  0  0
    2.5401    3.4503    1.4175 H   0  0  0  0  0
   -1.6016    4.5144    1.4092 H   0  0  0  0  0
    2.3489    8.9663    3.3099 H   0  0  0  0  0
    1.5417    7.5011    3.9259 H   0  0  0  0  0
    0.5901    8.9124    3.3855 H   0  0  0  0  0
   -1.1245    8.0141    2.3162 H   0  0  0  0  0
   -2.2445    6.7280    2.1435 H   0  0  0  0  0
   -3.7972    7.1656   -2.3946 H   0  0  0  0  0
   -2.7218    9.2054   -3.1655 H   0  0  0  0  0
   -0.3785    9.3663    0.4375 H   0  0  0  0  0
   -0.5793   11.3388   -1.0232 H   0  0  0  0  0
   -1.5338   11.2821   -2.4909 H   0  0  0  0  0
    0.2025    9.7964   -3.5679 H   0  0  0  0  0
    1.1645    9.8644   -2.0825 H   0  0  0  0  0
    0.3939   12.1949   -3.7265 H   0  0  0  0  0
    2.0474   10.8525   -4.8326 H   0  0  0  0  0
    3.0137   10.8880   -3.3332 H   0  0  0  0  0
    2.7122   12.3784   -4.2299 H   0  0  0  0  0
   -4.2541    4.1766   -0.3718 H   0  0  0  0  0
   -3.3958    4.8356   -1.7687 H   0  0  0  0  0
   -4.9449    5.5754   -1.2017 H   0  0  0  0  0
   -0.8692    2.1584    1.7075 H   0  0  0  0  0
    0.8305    1.7335    1.6344 H   0  0  0  0  0
    0.8824    2.3017   -0.8175 H   0  0  0  0  0
   -0.8320    2.7383   -0.7539 H   0  0  0  0  0
   -1.3165    0.4820   -0.0630 H   0  0  0  0  0
    0.3826    0.5617   -2.4786 H   0  0  0  0  0
   -1.3473    0.9927   -2.4141 H   0  0  0  0  0
   -0.8235   -0.6660   -2.0853 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  2  3  1  0  0  0
  2 42  1  0  0  0
  3  4  1  0  0  0
  3 43  1  0  0  0
  3 44  1  0  0  0
  4  5  1  0  0  0
  4 45  1  0  0  0
  4 46  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 47  1  0  0  0
  7  8  2  0  0  0
  7 13  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 48  1  0  0  0
 10 49  1  0  0  0
 11 12  1  0  0  0
 12 50  1  0  0  0
 12 51  1  0  0  0
 12 52  1  0  0  0
 13 14  1  0  0  0
 13 53  1  0  0  0
 13 54  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 55  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 56  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 57  1  0  0  0
 21 58  1  0  0  0
 21 59  1  0  0  0
 22 23  1  0  0  0
 22 60  1  0  0  0
 22 61  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 33  1  0  0  0
 25 26  2  0  0  0
 25 62  1  0  0  0
 26 27  1  0  0  0
 26 63  1  0  0  0
 27 28  2  0  0  0
 27 29  1  0  0  0
 28 64  1  0  0  0
 29 30  1  0  0  0
 29 65  1  0  0  0
 29 66  1  0  0  0
 30 31  1  0  0  0
 30 67  1  0  0  0
 30 68  1  0  0  0
 31 32  1  0  0  0
 31 69  1  0  0  0
 32 70  1  0  0  0
 32 71  1  0  0  0
 32 72  1  0  0  0
 33 34  1  0  0  0
 34 73  1  0  0  0
 34 74  1  0  0  0
 34 75  1  0  0  0
 35 36  1  0  0  0
 35 76  1  0  0  0
 35 77  1  0  0  0
 36 37  1  0  0  0
 36 78  1  0  0  0
 36 79  1  0  0  0
 37 38  1  0  0  0
 37 80  1  0  0  0
 38 81  1  0  0  0
 38 82  1  0  0  0
 38 83  1  0  0  0
M  END

>  <Chemical Name>
AC1L1EMH

>  <PubChem CID>
2855

>  <Formula>
C32H45N3O3

>  <Molecular Weight>
519.730000

>  <IUPAC Name>
2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-N-methylethanamine

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CNCCC1=CC(=C(C=C1)OC)CC2=CC(=CC(=C2OC)CC3=C(C=CC(=C3)CCNC)OC)CCNC

>  <Isomeric SMILES>
CNCCC1=CC(=C(C=C1)OC)CC2=CC(=CC(=C2OC)CC3=C(C=CC(=C3)CCNC)OC)CCNC

>  <InChI Std. ID>
InChI=1S/C32H45N3O3/c1-33-14-11-23-7-9-30(36-4)26(17-23)21-28-19-25(13-16-35-3)20-29(32(28)38-6)22-27-18-24(12-15-34-2)8-10-31(27)37-5/h7-10,17-20,33-35H,11-16,21-22H2,1-6H3

>  <InChI Key>
DXEVTBAWIGXNAW-UHFFFAOYSA-N

