[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C21H20ClF3N2O4 MolecularWeight: 456.84271

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H20ClF3N2O4/c1-12(2)18(27-19(29)13-6-4-3-5-7-13)20(30)31-11-17(28)26-16-9-8-14(22)10-15(16)21(23,24)25/h3-10,12,18H,11H2,1-2H3,(H,26,28)(H,27,29)