1-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-oxo-2-(p-tolylmethylamino)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-keto-2-[(4-methylbenzyl)amino]ethyl]isonipecotic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H22N2O3/c1-12-2-4-13(5-3-12)10-17-15(19)11-18-8-6-14(7-9-18)16(20)21/h2-5,14H,6-11H2,1H3,(H,17,19)(H,20,21)