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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2(CC3=CC=CC=C3)C4CCNCC4)(C5=CC=CC=C5)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2(CC3=CC=CC=C3)C4CCNCC4)(C5=CC=CC=C5)C(=O)O)C

InChI

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