[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H19F6NO3 MolecularWeight: 447.370879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

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