
 PD 102807

 53 57  0  0  0  0  0  0  0  0999 V2000
    1.6402    1.0730    0.0134 C   0  0  0  0  0
    2.0519    1.9064   -1.1854 C   0  0  0  0  0
    2.8017    3.0560   -0.7671 O   0  0  0  0  0
    4.1327    2.8463   -0.5278 C   0  0  0  0  0
    4.6599    1.7506   -0.6755 O   0  0  0  0  0
    4.8332    4.0429   -0.0399 C   0  0  0  0  0
    4.2601    5.3044    0.1254 C   0  0  0  0  0
    5.1998    6.1275    0.6835 N   0  0  0  0  0
    6.3749    5.4555    0.8991 C   0  0  0  0  0
    6.2193    4.1556    0.4026 C   0  0  0  0  0
    7.3580    3.2900    0.4541 C   0  0  0  0  0
    8.5158    3.7485    1.1182 C   0  0  0  0  0
    8.6147    5.0429    1.6131 C   0  0  0  0  0
    7.5501    5.9284    1.4916 C   0  0  0  0  0
    9.6400    2.9746    1.2752 O   0  0  0  0  0
    9.4468    1.5816    0.9894 C   0  0  0  0  0
   10.8204    0.9267    0.9702 C   0  0  0  0  0
   11.4797    0.6872   -0.2509 C   0  0  0  0  0
   10.8140    1.0441   -1.5596 C   0  0  0  0  0
    9.5058    1.8356   -1.3999 C   0  0  0  0  0
    8.7315    1.3258   -0.2636 N   0  0  0  0  0
    7.3964    1.9108   -0.1554 C   0  0  0  0  0
   12.7276    0.0429   -0.2594 C   0  0  0  0  0
   13.3228   -0.3598    0.9365 C   0  0  0  0  0
   12.6921   -0.0763    2.1481 C   0  0  0  0  0
   11.4496    0.5606    2.1687 C   0  0  0  0  0
   14.5208   -1.0137    1.0400 O   0  0  0  0  0
   14.8956   -1.7879   -0.0944 C   0  0  0  0  0
    2.8967    5.8264   -0.1719 C   0  0  0  0  0
    1.0221    0.2258   -0.2963 H   0  0  0  0  0
    1.0750    1.6804    0.7288 H   0  0  0  0  0
    2.5143    0.6871    0.5478 H   0  0  0  0  0
    1.1566    2.2785   -1.6971 H   0  0  0  0  0
    2.6132    1.3138   -1.9165 H   0  0  0  0  0
    5.0508    7.0969    0.9291 H   0  0  0  0  0
    9.5368    5.3696    2.0872 H   0  0  0  0  0
    7.6310    6.9448    1.8638 H   0  0  0  0  0
    8.8872    1.1297    1.8220 H   0  0  0  0  0
   10.5978    0.1082   -2.0902 H   0  0  0  0  0
   11.5084    1.6274   -2.1764 H   0  0  0  0  0
    9.7350    2.9041   -1.2985 H   0  0  0  0  0
    8.9352    1.7309   -2.3312 H   0  0  0  0  0
    6.7913    1.2482    0.4750 H   0  0  0  0  0
    6.9457    1.9332   -1.1526 H   0  0  0  0  0
   13.2113   -0.1368   -1.2139 H   0  0  0  0  0
   13.1617   -0.3734    3.0821 H   0  0  0  0  0
   10.9670    0.7557    3.1234 H   0  0  0  0  0
   15.7554   -2.4023    0.1898 H   0  0  0  0  0
   15.2072   -1.1456   -0.9240 H   0  0  0  0  0
   14.0897   -2.4643   -0.4009 H   0  0  0  0  0
    2.8288    6.9035    0.0140 H   0  0  0  0  0
    2.1506    5.3332    0.4589 H   0  0  0  0  0
    2.6408    5.6589   -1.2230 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 22  1  0  0  0
 12 15  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 26  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 46  1  0  0  0
 26 47  1  0  0  0
 27 28  1  0  0  0
 28 48  1  0  0  0
 28 49  1  0  0  0
 28 50  1  0  0  0
 29 51  1  0  0  0
 29 52  1  0  0  0
 29 53  1  0  0  0
M  END

>  <Chemical Name>
PD 102807

>  <PubChem CID>
4995951

>  <Formula>
C23H24N2O4

>  <Molecular Weight>
392.455000

>  <IUPAC Name>


>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OC4C5=C(CCN4C3)C=C(C=C5)OC)C

>  <Isomeric SMILES>
CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OC4C5=C(CCN4C3)C=C(C=C5)OC)C

>  <InChI Std. ID>
InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3

>  <InChI Key>
VDDUJINYXKGZLV-UHFFFAOYSA-N

