[1-(1-oxidanylideneisochromen-3-yl)cyclohexyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [1-(1-oxidanylideneisochromen-3-yl)cyclohexyl] 4-(trifluoromethyl)benzoate Openeye Name: [1-(1-oxoisochromen-3-yl)cyclohexyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [1-(1-oxo-2-benzopyran-3-yl)cyclohexyl] ester IUPAC Name: [1-(1-oxoisochromen-3-yl)cyclohexyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [1-(1-ketoisochromen-3-yl)cyclohexyl] ester Formula: C23H19F3O4 MolecularWeight: 416.38977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC3=CC=CC=C3C(=O)O2)OC(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)(C2=CC3=CC=CC=C3C(=O)O2)OC(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H19F3O4/c24-23(25,26)17-10-8-15(9-11-17)20(27)30-22(12-4-1-5-13-22)19-14-16-6-2-3-7-18(16)21(28)29-19/h2-3,6-11,14H,1,4-5,12-13H2