[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate CAS Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate Traditional Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H21F3N2O4 MolecularWeight: 422.39765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4/c1-20(2,3)26-19(29)25-17(27)12-30-18(28)16-7-5-4-6-15(16)13-8-10-14(11-9-13)21(22,23)24/h4-11H,12H2,1-3H3,(H2,25,26,27,29)