[1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-benzamidobutanoate

Systemtic Name: [1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-benzamidobutanoate Openeye Name: [1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C21H21F3N2O4 MolecularWeight: 422.39765

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)C(=O)NC1=CC=C(C=C1)C(F)(F)F)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OC(C)C(=O)NC1=CC=C(C=C1)C(F)(F)F)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H21F3N2O4/c1-13(25-20(29)15-6-4-3-5-7-15)12-18(27)30-14(2)19(28)26-17-10-8-16(9-11-17)21(22,23)24/h3-11,13-14H,12H2,1-2H3,(H,25,29)(H,26,28)