2-[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]isoindole-1,3-dione Openeye Name: 2-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]isoindoline-1,3-dione CAS Name: 2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]isoindole-1,3-dione IUPAC Name: 2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]isoindole-1,3-dione Traditional Name: 2-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]isoindoline-1,3-quinone Formula: C22H21F4NO4 MolecularWeight: 439.400053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CN1C(=O)C2=CC=CC=C2C1=O)(C(F)(F)F)O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)(CC(CN1C(=O)C2=CC=CC=C2C1=O)(C(F)(F)F)O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H21F4NO4/c1-20(2,16-10-13(23)8-9-17(16)31-3)11-21(30,22(24,25)26)12-27-18(28)14-6-4-5-7-15(14)19(27)29/h4-10,30H,11-12H2,1-3H3