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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C17H22N2O4/c1-12-4-2-6-14(10-12)18-15(20)7-8-16(21)19-9-3-5-13(11-19)17(22)23/h2,4,6,10,13H,3,5,7-9,11H2,1H3,(H,18,20)(H,22,23)/t13-/m0/s1