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

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] benzoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] benzoate CAS Name: benzoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C17H17NO3 MolecularWeight: 283.32178

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO3/c1-12-8-10-15(11-9-12)18-16(19)13(2)21-17(20)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,18,19)/t13-/m0/s1