[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-16-8-10-18(11-9-16)21(26)17(2)29-22(27)19-12-14-25(15-13-19)23(28)24-20-6-4-3-5-7-20/h3-11,17,19H,12-15H2,1-2H3,(H,24,28)/t17-/m0/s1