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

Systemtic Name: (3S)-1-[4-[(4-methylphenyl)amino]-4-oxidanylidene-butanoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[4-(4-methylanilino)-4-oxo-butanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[4-(4-methylanilino)-1,4-dioxobutyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[4-(4-methylanilino)-4-oxobutanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-keto-4-(p-toluidino)butanoyl]nipecotate Formula: C17H21N2O4- MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-12-4-6-14(7-5-12)18-15(20)8-9-16(21)19-10-2-3-13(11-19)17(22)23/h4-7,13H,2-3,8-11H2,1H3,(H,18,20)(H,22,23)/p-1/t13-/m0/s1