
 CHEMBL173203

 72 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL173203

>  <PubChem CID>
44383850

>  <Formula>
C31H34Cl2N2O3

>  <Molecular Weight>
553.524000

>  <IUPAC Name>
[1-[4-[benzoyl(methyl)amino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl] acetate

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)OC1(CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

>  <Isomeric SMILES>
CC(=O)OC1(CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C31H34Cl2N2O3/c1-23(36)38-31(27-11-7-4-8-12-27)16-19-35(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-34(2)30(37)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3

>  <InChI Key>
DQMORGOZRPDLAR-UHFFFAOYSA-N

