[2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-[2-(isobutylcarbamoyl)anilino]-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-[2-[(2-methylpropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-[2-(isobutylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)CC(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](CC(=O)OCC(=O)NC1=CC=CC=C1C(=O)NCC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C23H28N2O4/c1-16(2)14-24-23(28)19-11-7-8-12-20(19)25-21(26)15-29-22(27)13-17(3)18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,24,28)(H,25,26)/t17-/m0/s1