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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

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

InChI

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