3-fluoranyl-4-[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzonitrile CAS Name: 3-fluoro-4-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzonitrile Traditional Name: 3-fluoro-4-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzonitrile Formula: C21H20F5NO2 MolecularWeight: 413.381016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC1=C(C=C(C=C1)C#N)F)(C(F)(F)F)O)C2=C(C=CC(=C2)F)OC

Isomeric SMILES

CC(C)(CC(CC1=C(C=C(C=C1)C#N)F)(C(F)(F)F)O)C2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C21H20F5NO2/c1-19(2,16-9-15(22)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)23/h4-9,28H,10,12H2,1-3H3