4-bromanyl-5-[[4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]amino]-3H-2-benzofuran-1-one

Systemtic Name: 4-bromanyl-5-[[4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]amino]-3H-2-benzofuran-1-one Openeye Name: 4-bromo-5-[[4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-3H-isobenzofuran-1-one CAS Name: 4-bromo-5-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 4-bromo-5-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-3H-2-benzofuran-1-one Traditional Name: 4-bromo-5-[[4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]phthalide Formula: C21H20BrF4NO4 MolecularWeight: 506.285413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CNC1=C(C2=C(C=C1)C(=O)OC2)Br)(C(F)(F)F)O)C3=C(C=CC(=C3)F)O

Isomeric SMILES

CC(C)(CC(CNC1=C(C2=C(C=C1)C(=O)OC2)Br)(C(F)(F)F)O)C3=C(C=CC(=C3)F)O

InChI

InChI=1S/C21H20BrF4NO4/c1-19(2,14-7-11(23)3-6-16(14)28)9-20(30,21(24,25)26)10-27-15-5-4-12-13(17(15)22)8-31-18(12)29/h3-7,27-28,30H,8-10H2,1-2H3