[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 3-methyl-2-phenyl-pentanoate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C21H22F3NO3 MolecularWeight: 393.39949

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C21H22F3NO3/c1-3-14(2)19(15-9-5-4-6-10-15)20(27)28-13-18(26)25-17-12-8-7-11-16(17)21(22,23)24/h4-12,14,19H,3,13H2,1-2H3,(H,25,26)