[2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-oxo-2-(2-sec-butylanilino)ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(2-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-butan-2-ylanilino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-keto-2-(2-sec-butylanilino)ethyl] ester Formula: C21H19F6NO3 MolecularWeight: 447.370879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H19F6NO3/c1-3-12(2)16-6-4-5-7-17(16)28-18(29)11-31-19(30)13-8-14(20(22,23)24)10-15(9-13)21(25,26)27/h4-10,12H,3,11H2,1-2H3,(H,28,29)