1-[4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(2-methylanilino)-4-oxo-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[4-(2-methylanilino)-1,4-dioxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(2-methylanilino)-4-oxobutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-keto-4-(o-toluidino)butanoyl]isonipecotic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCC(=O)N2CCC(CC2)C(=O)O

InChI

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