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

Systemtic Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (3S)-3-phenylbutanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-15-9-11-18(12-10-15)14-22-21(24)17(3)25-20(23)13-16(2)19-7-5-4-6-8-19/h4-12,16-17H,13-14H2,1-3H3,(H,22,24)/t16-,17-/m0/s1