ethyl 1-[1-(4-chlorophenyl)carbonyl-6-phenyl-piperidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(4-chlorophenyl)carbonyl-6-phenyl-piperidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(4-chlorobenzoyl)-6-phenyl-piperidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[(4-chlorophenyl)-oxomethyl]-6-phenyl-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-chlorobenzoyl)-6-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(4-chlorobenzoyl)-6-phenyl-nipecotoyl]nipecotic acid ethyl ester Formula: C27H31ClN2O4 MolecularWeight: 482.99904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCC(N(C2)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CCC(N(C2)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H31ClN2O4/c1-2-34-27(33)22-9-6-16-29(17-22)25(31)21-12-15-24(19-7-4-3-5-8-19)30(18-21)26(32)20-10-13-23(28)14-11-20/h3-5,7-8,10-11,13-14,21-22,24H,2,6,9,12,15-18H2,1H3