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

Systemtic Name: 3-[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]benzenecarbonitrile Openeye Name: 3-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzonitrile CAS Name: 3-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzonitrile IUPAC Name: 3-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzonitrile Traditional Name: 3-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzonitrile Formula: C21H21F4NO2 MolecularWeight: 395.390553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F4NO2/c1-19(2,17-10-16(22)7-8-18(17)28-3)13-20(27,21(23,24)25)11-14-5-4-6-15(9-14)12-26/h4-10,27H,11,13H2,1-3H3