(3S)-1-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]nipecotic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-11-5-6-14(22-2)13(8-11)17-15(19)10-18-7-3-4-12(9-18)16(20)21/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,17,19)(H,20,21)/t12-/m0/s1