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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)CCCNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)CCCNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H21F3N2O4/c1-14(19(28)26-17-11-6-5-10-16(17)21(22,23)24)30-18(27)12-7-13-25-20(29)15-8-3-2-4-9-15/h2-6,8-11,14H,7,12-13H2,1H3,(H,25,29)(H,26,28)