
 CHEMBL138809

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.4693   -0.4627    3.3988 C   0  0  0  0  0
    1.8604   -0.6271    2.0445 O   0  0  0  0  0
    3.1936   -0.1868    1.8279 C   0  0  0  0  0
    3.5400   -0.3824    0.3937 C   0  0  0  0  0
    3.7380   -1.5605   -0.3107 C   0  0  0  0  0
    4.0399   -1.4793   -1.6714 C   0  0  0  0  0
    4.1311   -0.2326   -2.3068 C   0  0  0  0  0
    3.9227    0.9453   -1.5872 C   0  0  0  0  0
    3.6318    0.8523   -0.2332 C   0  0  0  0  0
    3.3559    1.9345    0.7668 C   0  0  0  0  0
    3.3355    1.2332    2.0422 O   0  0  0  0  0
    4.4890    2.9659    0.8177 C   0  0  0  0  0
    4.1335    4.1452    1.7205 C   0  0  0  0  0
    2.8601    4.7927    1.3733 N   0  0  0  0  0
    1.7735    3.8023    1.4390 C   0  0  0  0  0
    1.9852    2.5852    0.5338 C   0  0  0  0  0
    2.8742    5.4975    0.0788 C   0  0  0  0  0
    3.8952    6.6120   -0.0167 C   0  0  0  0  0
    3.8497    7.7026    0.8629 C   0  0  0  0  0
    4.7823    8.7358    0.7585 C   0  0  0  0  0
    5.7683    8.6911   -0.2259 C   0  0  0  0  0
    5.8245    7.6124   -1.1062 C   0  0  0  0  0
    4.8929    6.5783   -1.0036 C   0  0  0  0  0
    0.4839   -0.9195    3.5276 H   0  0  0  0  0
    1.3908    0.5992    3.6500 H   0  0  0  0  0
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    4.1977   -2.3887   -2.2458 H   0  0  0  0  0
    4.3595   -0.1843   -3.3687 H   0  0  0  0  0
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    5.4046    2.4998    1.2049 H   0  0  0  0  0
    4.7280    3.3366   -0.1858 H   0  0  0  0  0
    4.0734    3.7989    2.7612 H   0  0  0  0  0
    4.9553    4.8701    1.7189 H   0  0  0  0  0
    0.8166    4.2796    1.1935 H   0  0  0  0  0
    1.6679    3.4656    2.4786 H   0  0  0  0  0
    1.1802    1.8661    0.7339 H   0  0  0  0  0
    1.8756    2.8865   -0.5154 H   0  0  0  0  0
    1.8924    5.9605   -0.0893 H   0  0  0  0  0
    3.0220    4.8025   -0.7559 H   0  0  0  0  0
    3.0877    7.7412    1.6381 H   0  0  0  0  0
    4.7399    9.5751    1.4474 H   0  0  0  0  0
    6.4935    9.4965   -0.3064 H   0  0  0  0  0
    6.5935    7.5763   -1.8734 H   0  0  0  0  0
    4.9514    5.7446   -1.6993 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
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  3 11  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL138809

>  <PubChem CID>
10357986

>  <Formula>
C20H23NO2

>  <Molecular Weight>
309.409000

>  <IUPAC Name>
1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1C2=CC=CC=C2C3(O1)CCN(CC3)CC4=CC=CC=C4

>  <Isomeric SMILES>
COC1C2=CC=CC=C2C3(O1)CCN(CC3)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3

>  <InChI Key>
RZZAEVQHACUOGI-UHFFFAOYSA-N

