(3S)-1-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(4-acetylanilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(4-acetylanilino)-2-keto-ethyl]nipecotic acid Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-11(19)12-4-6-14(7-5-12)17-15(20)10-18-8-2-3-13(9-18)16(21)22/h4-7,13H,2-3,8-10H2,1H3,(H,17,20)(H,21,22)/t13-/m0/s1