1-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2,3-dimethylanilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(2,3-dimethylanilino)-2-keto-ethyl]nipecotic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-11-5-3-7-14(12(11)2)17-15(19)10-18-8-4-6-13(9-18)16(20)21/h3,5,7,13H,4,6,8-10H2,1-2H3,(H,17,19)(H,20,21)