piperidin-4-yl 1-(3,5-dimethylphenyl)carbonyl-4-phenyl-2-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: piperidin-4-yl 1-(3,5-dimethylphenyl)carbonyl-4-phenyl-2-(phenylmethyl)piperidine-4-carboxylate Openeye Name: 4-piperidyl 2-benzyl-1-(3,5-dimethylbenzoyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(3,5-dimethylphenyl)-oxomethyl]-4-phenyl-2-(phenylmethyl)-4-piperidinecarboxylic acid 4-piperidinyl ester IUPAC Name: piperidin-4-yl 2-benzyl-1-(3,5-dimethylbenzoyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 2-benzyl-1-(3,5-dimethylbenzoyl)-4-phenyl-isonipecotic acid 4-piperidyl ester Formula: C33H38N2O3 MolecularWeight: 510.66642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2CC3=CC=CC=C3)(C4=CC=CC=C4)C(=O)OC5CCNCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2CC3=CC=CC=C3)(C4=CC=CC=C4)C(=O)OC5CCNCC5)C

InChI

InChI=1S/C33H38N2O3/c1-24-19-25(2)21-27(20-24)31(36)35-18-15-33(28-11-7-4-8-12-28,32(37)38-30-13-16-34-17-14-30)23-29(35)22-26-9-5-3-6-10-26/h3-12,19-21,29-30,34H,13-18,22-23H2,1-2H3