[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-3-phenylbutanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-3-phenylbutanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3/c1-14-9-11-18(12-10-14)21-20(23)16(3)24-19(22)13-15(2)17-7-5-4-6-8-17/h4-12,15-16H,13H2,1-3H3,(H,21,23)/t15-,16-/m0/s1