(3S)-1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(3,5-dimethylanilino)-2-keto-ethyl]nipecotic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN2CCC[C@@H](C2)C(=O)O)C

InChI

InChI=1S/C16H22N2O3/c1-11-6-12(2)8-14(7-11)17-15(19)10-18-5-3-4-13(9-18)16(20)21/h6-8,13H,3-5,9-10H2,1-2H3,(H,17,19)(H,20,21)/t13-/m0/s1