
 CHEMBL3797605

 39 42  0  0  0  0  0  0  0  0999 V2000
    1.4699   -0.5362    0.0473 C   0  0  0  0  0
    2.6575   -0.0832   -0.7929 C   0  0  0  0  0
    3.1313    1.3323   -0.4221 C   0  0  0  0  0
    3.8712    1.4296    0.9301 C   0  0  0  0  0
    4.3936    2.7917    1.0914 N   0  0  0  0  0
    3.4704    3.8305    0.9127 C   0  0  0  0  0
    3.8024    5.1197    1.3487 C   0  0  0  0  0
    2.9428    6.1976    1.1274 C   0  0  0  0  0
    1.7469    6.0029    0.4440 C   0  0  0  0  0
    1.4222    4.7345   -0.0324 C   0  0  0  0  0
    2.2902    3.6484    0.1749 C   0  0  0  0  0
    1.9247    2.2861   -0.3650 C   0  0  0  0  0
    0.8830    1.7670    0.4767 O   0  0  0  0  0
    0.3757    0.5183    0.0203 C   0  0  0  0  0
    5.0493    0.4716    1.0443 C   0  0  0  0  0
    6.1779    0.6002    0.2174 C   0  0  0  0  0
    7.2462   -0.2917    0.3246 C   0  0  0  0  0
    7.2010   -1.3241    1.2585 C   0  0  0  0  0
    6.0908   -1.4636    2.0887 C   0  0  0  0  0
    5.0214   -0.5713    1.9840 C   0  0  0  0  0
    1.0846   -1.4911   -0.3260 H   0  0  0  0  0
    1.7992   -0.6958    1.0807 H   0  0  0  0  0
    2.3497   -0.0763   -1.8471 H   0  0  0  0  0
    3.4686   -0.8148   -0.7231 H   0  0  0  0  0
    3.8097    1.6753   -1.2171 H   0  0  0  0  0
    3.1799    1.2274    1.7598 H   0  0  0  0  0
    4.9409    2.9027    1.9413 H   0  0  0  0  0
    4.7408    5.2927    1.8688 H   0  0  0  0  0
    3.2113    7.1876    1.4860 H   0  0  0  0  0
    1.0720    6.8372    0.2760 H   0  0  0  0  0
    0.4876    4.5872   -0.5681 H   0  0  0  0  0
    1.5224    2.4117   -1.3799 H   0  0  0  0  0
   -0.4406    0.2244    0.6875 H   0  0  0  0  0
   -0.0447    0.6365   -0.9850 H   0  0  0  0  0
    6.2293    1.4094   -0.5089 H   0  0  0  0  0
    8.1141   -0.1768   -0.3191 H   0  0  0  0  0
    8.0332   -2.0176    1.3422 H   0  0  0  0  0
    6.0568   -2.2677    2.8194 H   0  0  0  0  0
    4.1638   -0.6972    2.6420 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3797605

>  <PubChem CID>
10956441

>  <Formula>
C18H19NO

>  <Molecular Weight>
265.356000

>  <IUPAC Name>
(4aS,5S,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2C(NC3=CC=CC=C3C2OC1)C4=CC=CC=C4

>  <Isomeric SMILES>
C1C[C@H]2[C@H](NC3=CC=CC=C3[C@H]2OC1)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C18H19NO/c1-2-7-13(8-3-1)17-15-10-6-12-20-18(15)14-9-4-5-11-16(14)19-17/h1-5,7-9,11,15,17-19H,6,10,12H2/t15-,17+,18+/m0/s1

>  <InChI Key>
NNBCJSIAXXSBNX-CGTJXYLNSA-N

