1-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-oxo-2-(p-tolylmethylamino)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-keto-2-[(4-methylbenzyl)amino]ethyl]nipecotic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C16H22N2O3/c1-12-4-6-13(7-5-12)9-17-15(19)11-18-8-2-3-14(10-18)16(20)21/h4-7,14H,2-3,8-11H2,1H3,(H,17,19)(H,20,21)