2-[4-(4-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]-1H-indole-5-carbonitrile

Systemtic Name: 2-[4-(4-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]-1H-indole-5-carbonitrile Openeye Name: 2-[4-(4-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-5-carbonitrile CAS Name: 2-[4-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-5-carbonitrile IUPAC Name: 2-[4-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-5-carbonitrile Traditional Name: 2-[4-(4-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-5-carbonitrile Formula: C22H20F4N2O2 MolecularWeight: 420.400013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC1=CC2=C(N1)C=CC(=C2)C#N)(C(F)(F)F)O)C3=C(C=C(C=C3)F)O

Isomeric SMILES

CC(C)(CC(CC1=CC2=C(N1)C=CC(=C2)C#N)(C(F)(F)F)O)C3=C(C=C(C=C3)F)O

InChI

InChI=1S/C22H20F4N2O2/c1-20(2,17-5-4-15(23)9-19(17)29)12-21(30,22(24,25)26)10-16-8-14-7-13(11-27)3-6-18(14)28-16/h3-9,28-30H,10,12H2,1-2H3