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

Systemtic Name: N-(4-bromanyl-1-oxidanylidene-3H-2-benzofuran-5-yl)-4-methyl-2-oxidanyl-4-phenyl-2-(trifluoromethyl)pentanamide Openeye Name: N-(4-bromo-1-oxo-3H-isobenzofuran-5-yl)-2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentanamide CAS Name: N-(4-bromo-1-oxo-3H-isobenzofuran-5-yl)-2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentanamide IUPAC Name: N-(4-bromo-1-oxo-3H-2-benzofuran-5-yl)-2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentanamide Traditional Name: N-(4-bromo-1-keto-phthalan-5-yl)-2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)valeramide Formula: C21H19BrF3NO4 MolecularWeight: 486.27907

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)NC1=C(C2=C(C=C1)C(=O)OC2)Br)(C(F)(F)F)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CC(C(=O)NC1=C(C2=C(C=C1)C(=O)OC2)Br)(C(F)(F)F)O)C3=CC=CC=C3

InChI

InChI=1S/C21H19BrF3NO4/c1-19(2,12-6-4-3-5-7-12)11-20(29,21(23,24)25)18(28)26-15-9-8-13-14(16(15)22)10-30-17(13)27/h3-9,29H,10-11H2,1-2H3,(H,26,28)