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

Systemtic Name: 5-[[4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]amino]-3H-2-benzofuran-1-one Openeye Name: 5-[[4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-3H-isobenzofuran-1-one CAS Name: 5-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 5-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-3H-2-benzofuran-1-one Traditional Name: 5-[[4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]phthalide Formula: C21H21F4NO4 MolecularWeight: 427.389353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CNC1=CC2=C(C=C1)C(=O)OC2)(C(F)(F)F)O)C3=C(C=CC(=C3)F)O

Isomeric SMILES

CC(C)(CC(CNC1=CC2=C(C=C1)C(=O)OC2)(C(F)(F)F)O)C3=C(C=CC(=C3)F)O

InChI

InChI=1S/C21H21F4NO4/c1-19(2,16-8-13(22)3-6-17(16)27)10-20(29,21(23,24)25)11-26-14-4-5-15-12(7-14)9-30-18(15)28/h3-8,26-27,29H,9-11H2,1-2H3