4-[(4-methylphenyl)methyl]-3-oxidanylidene-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-methylphenyl)methyl]-3-oxidanylidene-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-3-oxo-4-(p-tolylmethyl)piperidine-4-carboxylic acid CAS Name: 4-[(4-methylphenyl)methyl]-3-oxo-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-[(4-methylphenyl)methyl]-3-oxopiperidine-4-carboxylic acid Traditional Name: 1-benzyl-3-keto-4-(4-methylbenzyl)isonipecotic acid Formula: C21H23NO3 MolecularWeight: 337.41222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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