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

Systemtic Name: methyl 2-[4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]-1H-indole-6-carboxylate Openeye Name: methyl 2-[4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-6-carboxylate CAS Name: 2-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-6-carboxylate Traditional Name: 2-[4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-6-carboxylic acid methyl ester Formula: C23H23F4NO4 MolecularWeight: 453.426633

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H23F4NO4/c1-21(2,17-10-15(24)6-7-19(17)29)12-22(31,23(25,26)27)11-16-8-13-4-5-14(20(30)32-3)9-18(13)28-16/h4-10,28-29,31H,11-12H2,1-3H3