[1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate

Systemtic Name: [1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate Openeye Name: [1-methyl-2-oxo-2-(4-propylphenyl)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate CAS Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [1-oxo-1-(4-propylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-propylphenyl)propan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate Traditional Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [2-keto-1-methyl-2-(4-propylphenyl)ethyl] ester Formula: C26H23F3O3 MolecularWeight: 440.45423

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C26H23F3O3/c1-3-6-18-9-11-20(12-10-18)24(30)17(2)32-25(31)23-8-5-4-7-22(23)19-13-15-21(16-14-19)26(27,28)29/h4-5,7-17H,3,6H2,1-2H3