[4-chloranyl-6-methoxy-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinolin-8-yl] 4-(trifluoromethyl)benzoate

Systemtic Name: [4-chloranyl-6-methoxy-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinolin-8-yl] 4-(trifluoromethyl)benzoate Openeye Name: [4-chloro-6-methoxy-2-(4-methoxyphenyl)-1-oxo-8-isoquinolyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [4-chloro-6-methoxy-2-(4-methoxyphenyl)-1-oxo-8-isoquinolinyl] ester IUPAC Name: [4-chloro-6-methoxy-2-(4-methoxyphenyl)-1-oxoisoquinolin-8-yl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [4-chloro-1-keto-6-methoxy-2-(4-methoxyphenyl)-8-isoquinolyl] ester Formula: C25H17ClF3NO5 MolecularWeight: 503.85439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC(=CC(=C3C2=O)OC(=O)C4=CC=C(C=C4)C(F)(F)F)OC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC(=CC(=C3C2=O)OC(=O)C4=CC=C(C=C4)C(F)(F)F)OC)Cl

InChI

InChI=1S/C25H17ClF3NO5/c1-33-17-9-7-16(8-10-17)30-13-20(26)19-11-18(34-2)12-21(22(19)23(30)31)35-24(32)14-3-5-15(6-4-14)25(27,28)29/h3-13H,1-2H3