1-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2,5-dimethylanilino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2,5-dimethylanilino)-2-keto-ethyl]isonipecotic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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