4-(3-bromanyl-4-methoxy-phenyl)-4-methyl-2-oxidanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-(trifluoromethyl)pentanamide

Systemtic Name: 4-(3-bromanyl-4-methoxy-phenyl)-4-methyl-2-oxidanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-(trifluoromethyl)pentanamide Openeye Name: 4-(3-bromo-4-methoxy-phenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-isobenzofuran-5-yl)-2-(trifluoromethyl)pentanamide CAS Name: 4-(3-bromo-4-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-isobenzofuran-5-yl)-2-(trifluoromethyl)pentanamide IUPAC Name: 4-(3-bromo-4-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(trifluoromethyl)pentanamide Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-2-hydroxy-N-(1-ketophthalan-5-yl)-4-methyl-2-(trifluoromethyl)valeramide Formula: C22H21BrF3NO5 MolecularWeight: 516.30505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)NC1=CC2=C(C=C1)C(=O)OC2)(C(F)(F)F)O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(C)(CC(C(=O)NC1=CC2=C(C=C1)C(=O)OC2)(C(F)(F)F)O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C22H21BrF3NO5/c1-20(2,13-4-7-17(31-3)16(23)9-13)11-21(30,22(24,25)26)19(29)27-14-5-6-15-12(8-14)10-32-18(15)28/h4-9,30H,10-11H2,1-3H3,(H,27,29)