[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid (2-cumidino-2-keto-ethyl) ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CC(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](CC(=O)OCC(=O)NC1=CC=C(C=C1)C(C)C)C2=CC=CC=C2

InChI

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