
 CHEMBL349776

 36 38  0  0  0  0  0  0  0  0999 V2000
    3.2617    0.3914    1.4134 C   0  0  0  0  0
    3.8913    1.4860    0.6844 N   0  0  0  0  0
    3.1172    1.8228   -0.5190 C   0  0  0  0  0
    3.9052    2.6435   -1.5453 C   0  0  0  0  0
    4.9588    3.5042   -0.8644 C   0  0  0  0  0
    5.9642    2.6309   -0.0781 C   0  0  0  0  0
    5.3271    1.2871    0.3829 C   0  0  0  0  0
    6.2014    0.7292    1.5179 C   0  0  0  0  0
    6.2487    1.5970    2.6472 O   0  0  0  0  0
    6.7229    2.8516    2.3455 C   0  0  0  0  0
    6.6246    3.3981    1.0553 C   0  0  0  0  0
    7.1768    4.6679    0.8244 C   0  0  0  0  0
    7.7650    5.3897    1.8624 C   0  0  0  0  0
    7.8185    4.8537    3.1492 C   0  0  0  0  0
    7.2963    3.5837    3.4041 C   0  0  0  0  0
    7.3248    2.9607    4.6266 O   0  0  0  0  0
    7.7311    3.7374    5.7441 C   0  0  0  0  0
    3.6881    0.2841    2.4158 H   0  0  0  0  0
    3.3592   -0.5626    0.8833 H   0  0  0  0  0
    2.1940    0.5905    1.5643 H   0  0  0  0  0
    2.2357    2.3971   -0.2078 H   0  0  0  0  0
    2.7482    0.9194   -1.0225 H   0  0  0  0  0
    3.2180    3.2723   -2.1225 H   0  0  0  0  0
    4.3964    1.9704   -2.2594 H   0  0  0  0  0
    4.4552    4.2160   -0.1968 H   0  0  0  0  0
    5.4891    4.1017   -1.6157 H   0  0  0  0  0
    6.7762    2.3609   -0.7704 H   0  0  0  0  0
    5.3940    0.5646   -0.4436 H   0  0  0  0  0
    7.2257    0.5457    1.1633 H   0  0  0  0  0
    5.8312   -0.2432    1.8594 H   0  0  0  0  0
    7.1465    5.1117   -0.1680 H   0  0  0  0  0
    8.1806    6.3752    1.6687 H   0  0  0  0  0
    8.2851    5.4468    3.9281 H   0  0  0  0  0
    7.6056    3.1235    6.6413 H   0  0  0  0  0
    7.1042    4.6278    5.8605 H   0  0  0  0  0
    8.7903    4.0053    5.6714 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL349776

>  <PubChem CID>
14151633

>  <Formula>
C14H19NO2

>  <Molecular Weight>
233.311000

>  <IUPAC Name>
(4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCCC2C1COC3=C2C=CC=C3OC

>  <Isomeric SMILES>
CN1CCC[C@H]2[C@H]1COC3=C2C=CC=C3OC

>  <InChI Std. ID>
InChI=1S/C14H19NO2/c1-15-8-4-6-10-11-5-3-7-13(16-2)14(11)17-9-12(10)15/h3,5,7,10,12H,4,6,8-9H2,1-2H3/t10-,12-/m1/s1

>  <InChI Key>
GFCDMVGEDLAHIF-ZYHUDNBSSA-N

