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

Systemtic Name: 1-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-acetamidoanilino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(3-acetamidoanilino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-acetamidoanilino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(3-acetamidoanilino)-2-keto-ethyl]isonipecotic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H21N3O4/c1-11(20)17-13-3-2-4-14(9-13)18-15(21)10-19-7-5-12(6-8-19)16(22)23/h2-4,9,12H,5-8,10H2,1H3,(H,17,20)(H,18,21)(H,22,23)