
 CHEMBL138458

 55 58  0  0  0  0  0  0  0  0999 V2000
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    7.5911    2.2495    0.1746 N   0  0  0  0  0
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    2.8327    1.8678   -0.8763 H   0  0  0  0  0
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    0.8536    2.8598    0.2264 H   0  0  0  0  0
    0.5429    5.3386    0.4976 H   0  0  0  0  0
    1.5308    7.5668    0.1030 H   0  0  0  0  0
    3.9837    7.8102   -0.1563 H   0  0  0  0  0
    5.4492    5.8452   -0.0122 H   0  0  0  0  0
    5.8805    3.8320   -1.3535 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL138458

>  <PubChem CID>
10915140

>  <Formula>
C23H29NO2

>  <Molecular Weight>
351.490000

>  <IUPAC Name>
3-methoxy-1'-(3-phenylpropyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1CC2=CC=CC=C2C3(O1)CCN(CC3)CCCC4=CC=CC=C4

>  <Isomeric SMILES>
COC1CC2=CC=CC=C2C3(O1)CCN(CC3)CCCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3

>  <InChI Key>
IJKYJDDNDXAREJ-UHFFFAOYSA-N

