ethyl 4-(4-chlorophenyl)-1-(3,3,3-triphenylpropanoyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-1-(3,3,3-triphenylpropanoyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-1-(3,3,3-triphenylpropanoyl)piperidine-4-carboxylate CAS Name: 4-(4-chlorophenyl)-1-(1-oxo-3,3,3-triphenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-1-(3,3,3-triphenylpropanoyl)piperidine-4-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-(3,3,3-triphenylpropanoyl)isonipecotic acid ethyl ester Formula: C35H34ClNO3 MolecularWeight: 552.10236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C35H34ClNO3/c1-2-40-33(39)34(27-18-20-31(36)21-19-27)22-24-37(25-23-34)32(38)26-35(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-21H,2,22-26H2,1H3