1-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(3-methylanilino)-4-oxo-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[4-(3-methylanilino)-1,4-dioxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(3-methylanilino)-4-oxobutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-keto-4-(m-toluidino)butanoyl]isonipecotic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C17H22N2O4/c1-12-3-2-4-14(11-12)18-15(20)5-6-16(21)19-9-7-13(8-10-19)17(22)23/h2-4,11,13H,5-10H2,1H3,(H,18,20)(H,22,23)