methyl 1-[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]indole-3-carboxylate

Systemtic Name: methyl 1-[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]indole-3-carboxylate Openeye Name: methyl 1-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]indole-3-carboxylate CAS Name: 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]indole-3-carboxylate Traditional Name: 1-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]indole-3-carboxylic acid methyl ester Formula: C24H25F4NO4 MolecularWeight: 467.453213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CN1C=C(C2=CC=CC=C21)C(=O)OC)(C(F)(F)F)O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)(CC(CN1C=C(C2=CC=CC=C21)C(=O)OC)(C(F)(F)F)O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C24H25F4NO4/c1-22(2,18-11-15(25)9-10-20(18)32-3)13-23(31,24(26,27)28)14-29-12-17(21(30)33-4)16-7-5-6-8-19(16)29/h5-12,31H,13-14H2,1-4H3