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

Systemtic Name: 1-[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]-2H-3,1-benzoxazin-4-one Openeye Name: 1-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-2H-3,1-benzoxazin-4-one CAS Name: 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-2H-3,1-benzoxazin-4-one IUPAC Name: 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-2H-3,1-benzoxazin-4-one Traditional Name: 1-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-2H-3,1-benzoxazin-4-one Formula: C22H23F4NO4 MolecularWeight: 441.415933

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23F4NO4/c1-20(2,16-10-14(23)8-9-18(16)30-3)11-21(29,22(24,25)26)12-27-13-31-19(28)15-6-4-5-7-17(15)27/h4-10,29H,11-13H2,1-3H3