[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethylbenzoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethylbenzoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C19H21NO3/c1-12-5-7-17(8-6-12)20-18(21)15(4)23-19(22)16-10-13(2)9-14(3)11-16/h5-11,15H,1-4H3,(H,20,21)/t15-/m0/s1