(phenylmethyl) 5-(4-acetamido-4-phenyl-piperidin-1-yl)-3-(3,4-dichlorophenyl)pentanoate

Systemtic Name: (phenylmethyl) 5-(4-acetamido-4-phenyl-piperidin-1-yl)-3-(3,4-dichlorophenyl)pentanoate Openeye Name: benzyl 5-(4-acetamido-4-phenyl-1-piperidyl)-3-(3,4-dichlorophenyl)pentanoate CAS Name: 5-(4-acetamido-4-phenyl-1-piperidinyl)-3-(3,4-dichlorophenyl)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(4-acetamido-4-phenylpiperidin-1-yl)-3-(3,4-dichlorophenyl)pentanoate Traditional Name: 5-(4-acetamido-4-phenyl-piperidino)-3-(3,4-dichlorophenyl)valeric acid benzyl ester Formula: C31H34Cl2N2O3 MolecularWeight: 553.51926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CCN(CC1)CCC(CC(=O)OCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1(CCN(CC1)CCC(CC(=O)OCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C31H34Cl2N2O3/c1-23(36)34-31(27-10-6-3-7-11-27)15-18-35(19-16-31)17-14-26(25-12-13-28(32)29(33)20-25)21-30(37)38-22-24-8-4-2-5-9-24/h2-13,20,26H,14-19,21-22H2,1H3,(H,34,36)