[(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [(1S)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [(1S)-2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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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)NC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-16-9-10-21(17(2)15-16)26-22(28)18(3)31-23(29)19-11-13-27(14-12-19)24(30)25-20-7-5-4-6-8-20/h4-10,15,18-19H,11-14H2,1-3H3,(H,25,30)(H,26,28)/t18-/m0/s1