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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CN1COC(=O)C2=CC=CC=C21)(C(F)(F)F)O)C3=C(C=CC(=C3)F)O

Isomeric SMILES

CC(C)(CC(CN1COC(=O)C2=CC=CC=C21)(C(F)(F)F)O)C3=C(C=CC(=C3)F)O

InChI

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