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2-[4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]-1H-indole-6-carboxylic acid

2-[4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]-1H-indole-6-carboxylic acid

Systemtic Name:2-[4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]-1H-indole-6-carboxylic acid
Openeye Name:2-[4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-6-carboxylic acid
CAS Name:2-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-6-carboxylic acid
IUPAC Name:2-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-6-carboxylic acid
Traditional Name:2-[4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-6-carboxylic acid
Formula: C22H21F4NO4
MolecularWeight: 439.400053
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H21F4NO4/c1-20(2,16-9-14(23)5-6-18(16)28)11-21(31,22(24,25)26)10-15-7-12-3-4-13(19(29)30)8-17(12)27-15/h3-9,27-28,31H,10-11H2,1-2H3,(H,29,30)


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