1-(4-methylphenyl)carbonyl-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)carbonyl-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-(4-methylbenzoyl)piperidine-4-carboxylic acid CAS Name: 1-[(4-methylphenyl)-oxomethyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-(4-methylbenzoyl)piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-p-toluoyl-isonipecotic acid Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3/c1-16-7-9-18(10-8-16)19(23)22-13-11-21(12-14-22,20(24)25)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,24,25)