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

Systemtic Name: [1-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-1-methyl-2-oxo-ethyl] 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid [1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H17ClF3NO4 MolecularWeight: 427.80149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)OC(=O)CCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)OC(=O)CCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H17ClF3NO4/c1-12(29-18(27)10-9-17(26)13-5-3-2-4-6-13)19(28)25-14-7-8-16(21)15(11-14)20(22,23)24/h2-8,11-12H,9-10H2,1H3,(H,25,28)