[6-methyl-2-(trifluoromethyl)oxan-3-yl] 4-(4-methylphenyl)benzoate

Systemtic Name: [6-methyl-2-(trifluoromethyl)oxan-3-yl] 4-(4-methylphenyl)benzoate Openeye Name: [6-methyl-2-(trifluoromethyl)tetrahydropyran-3-yl] 4-(p-tolyl)benzoate CAS Name: 4-(4-methylphenyl)benzoic acid [6-methyl-2-(trifluoromethyl)-3-oxanyl] ester IUPAC Name: [6-methyl-2-(trifluoromethyl)oxan-3-yl] 4-(4-methylphenyl)benzoate Traditional Name: 4-(p-tolyl)benzoic acid [6-methyl-2-(trifluoromethyl)tetrahydropyran-3-yl] ester Formula: C21H21F3O3 MolecularWeight: 378.38485

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(O1)C(F)(F)F)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCC(C(O1)C(F)(F)F)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21F3O3/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)20(25)27-18-12-5-14(2)26-19(18)21(22,23)24/h3-4,6-11,14,18-19H,5,12H2,1-2H3