[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C24H28N2O4/c1-16-8-10-20(11-9-16)25-22(27)18(3)30-24(29)19-12-14-26(15-13-19)23(28)21-7-5-4-6-17(21)2/h4-11,18-19H,12-15H2,1-3H3,(H,25,27)/t18-/m0/s1