
 CHEMBL208886

 46 47  0  0  0  0  0  0  0  0999 V2000
    1.8730   -0.2652    1.2105 C   0  0  0  0  0
    3.2474   -0.1371    0.7220 N   0  0  0  0  0
    3.3897   -0.8757   -0.5376 C   0  0  0  0  0
    3.6433    1.2699    0.5223 C   0  0  0  0  0
    3.7702    2.0570    1.8369 C   0  0  0  0  0
    4.2732    3.4940    1.5953 C   0  0  0  0  0
    4.3412    4.2942    2.8941 C   0  0  0  0  0
    5.5526    4.7935    3.4027 C   0  0  0  0  0
    5.5834    5.5358    4.5867 C   0  0  0  0  0
    4.4048    5.7870    5.2792 C   0  0  0  0  0
    3.1898    5.3078    4.7927 C   0  0  0  0  0
    3.1592    4.5732    3.6039 C   0  0  0  0  0
    4.4441    6.6947    6.7389 Cl  0  0  0  0  0
    5.5887    3.4041    1.0119 O   0  0  0  0  0
    5.7692    3.9369   -0.2154 C   0  0  0  0  0
    4.9230    4.4975   -0.8910 O   0  0  0  0  0
    7.1767    3.7307   -0.6537 C   0  0  0  0  0
    8.0936    2.9810    0.0937 C   0  0  0  0  0
    9.4006    2.8101   -0.3701 C   0  0  0  0  0
    9.8115    3.3941   -1.5696 C   0  0  0  0  0
    8.8964    4.1278   -2.3258 C   0  0  0  0  0
    7.5839    4.2963   -1.8685 C   0  0  0  0  0
   11.1131    3.1541   -1.9128 O   0  0  0  0  0
   11.7042    4.0929   -2.8040 C   0  0  0  0  0
    1.7666    0.1593    2.2132 H   0  0  0  0  0
    1.5948   -1.3217    1.3026 H   0  0  0  0  0
    1.1506    0.2214    0.5455 H   0  0  0  0  0
    3.1394   -1.9332   -0.3961 H   0  0  0  0  0
    4.4280   -0.8474   -0.8869 H   0  0  0  0  0
    2.7474   -0.4709   -1.3283 H   0  0  0  0  0
    2.9423    1.7789   -0.1522 H   0  0  0  0  0
    4.6226    1.2775    0.0288 H   0  0  0  0  0
    4.4694    1.5303    2.4998 H   0  0  0  0  0
    2.8012    2.0891    2.3454 H   0  0  0  0  0
    3.5769    4.0147    0.9264 H   0  0  0  0  0
    6.4918    4.6146    2.8840 H   0  0  0  0  0
    6.5325    5.9147    4.9587 H   0  0  0  0  0
    2.2674    5.5050    5.3298 H   0  0  0  0  0
    2.1981    4.2196    3.2351 H   0  0  0  0  0
    7.8097    2.5169    1.0349 H   0  0  0  0  0
   10.1073    2.2233    0.2125 H   0  0  0  0  0
    9.1681    4.5658   -3.2810 H   0  0  0  0  0
    6.8795    4.8686   -2.4697 H   0  0  0  0  0
   12.7748    3.8736   -2.8560 H   0  0  0  0  0
   11.5902    5.1172   -2.4325 H   0  0  0  0  0
   11.2950    3.9914   -3.8137 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 10  2  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 12 39  1  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 42  1  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL208886

>  <PubChem CID>
11595438

>  <Formula>
C19H22ClNO3

>  <Molecular Weight>
347.839000

>  <IUPAC Name>
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-methoxybenzoate

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CCC(C1=CC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)OC

>  <Isomeric SMILES>
CN(C)CCC(C1=CC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C19H22ClNO3/c1-21(2)13-12-18(14-4-8-16(20)9-5-14)24-19(22)15-6-10-17(23-3)11-7-15/h4-11,18H,12-13H2,1-3H3

>  <InChI Key>
CYRIGJVBFJYAQD-UHFFFAOYSA-N

