
 CHEMBL37643

 43 45  0  0  0  0  0  0  0  0999 V2000
    3.3610    0.6496    3.7031 C   0  0  0  0  0
    2.5587    1.7934    3.4425 O   0  0  0  0  0
    3.0654    2.7352    2.5831 C   0  0  0  0  0
    4.4151    3.0186    2.3156 C   0  0  0  0  0
    4.7215    4.0458    1.4073 C   0  0  0  0  0
    3.7182    4.8004    0.7718 C   0  0  0  0  0
    2.3818    4.5085    1.0611 C   0  0  0  0  0
    2.0637    3.4923    1.9614 C   0  0  0  0  0
    4.0475    5.9226   -0.1894 C   0  0  0  0  0
    3.7370    7.3062    0.3803 C   0  0  0  0  0
    4.8856    8.1503   -0.1220 C   0  0  0  0  0
    6.0324    7.1572   -0.0823 C   0  0  0  0  0
    5.4450    5.9291   -0.5440 O   0  0  0  0  0
    7.2112    7.5643   -0.9706 C   0  0  0  0  0
    8.4307    6.6901   -0.7998 C   0  0  0  0  0
    8.3950    5.3234   -1.0737 C   0  0  0  0  0
    9.4591    4.4942   -0.9641 N   0  0  0  0  0
   10.6244    5.0517   -0.5809 C   0  0  0  0  0
   10.7745    6.3967   -0.2931 C   0  0  0  0  0
    9.6605    7.2253   -0.4031 C   0  0  0  0  0
    5.3719    2.3035    2.9870 O   0  0  0  0  0
    6.7334    2.5032    2.6246 C   0  0  0  0  0
    2.7032   -0.1292    4.1021 H   0  0  0  0  0
    4.1060    0.8668    4.4742 H   0  0  0  0  0
    3.8212    0.2511    2.7925 H   0  0  0  0  0
    5.7559    4.2890    1.1835 H   0  0  0  0  0
    1.5775    5.0702    0.5916 H   0  0  0  0  0
    1.0201    3.2782    2.1806 H   0  0  0  0  0
    3.5007    5.7587   -1.1249 H   0  0  0  0  0
    3.7344    7.3008    1.4777 H   0  0  0  0  0
    2.7599    7.6798    0.0539 H   0  0  0  0  0
    4.6812    8.4707   -1.1506 H   0  0  0  0  0
    5.0653    9.0388    0.4891 H   0  0  0  0  0
    6.3645    7.0021    0.9532 H   0  0  0  0  0
    7.4814    8.6035   -0.7449 H   0  0  0  0  0
    6.9225    7.5300   -2.0282 H   0  0  0  0  0
    7.4821    4.8371   -1.4100 H   0  0  0  0  0
   11.4643    4.3673   -0.5151 H   0  0  0  0  0
   11.7386    6.7933    0.0032 H   0  0  0  0  0
    9.7621    8.2865   -0.1887 H   0  0  0  0  0
    7.3383    1.8025    3.2082 H   0  0  0  0  0
    7.0636    3.5156    2.8789 H   0  0  0  0  0
    6.8998    2.2824    1.5651 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8 28  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL37643

>  <PubChem CID>
44283864

>  <Formula>
C18H21NO3

>  <Molecular Weight>
299.370000

>  <IUPAC Name>
3-[[5-(3,4-dimethoxyphenyl)oxolan-2-yl]methyl]pyridine

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C(C=C(C=C1)C2CCC(O2)CC3=CN=CC=C3)OC

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)C2CCC(O2)CC3=CN=CC=C3)OC

>  <InChI Std. ID>
InChI=1S/C18H21NO3/c1-20-17-7-5-14(11-18(17)21-2)16-8-6-15(22-16)10-13-4-3-9-19-12-13/h3-5,7,9,11-12,15-16H,6,8,10H2,1-2H3

>  <InChI Key>
BGVWEZPTGNMMIZ-UHFFFAOYSA-N

