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

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

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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)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)Br

InChI

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