3-bromanyl-1-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-5-oxidanyl-indole-2-carboxylic acid

Systemtic Name: 3-bromanyl-1-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 3-bromo-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-hydroxy-indole-2-carboxylic acid CAS Name: 3-bromo-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-hydroxy-2-indolecarboxylic acid IUPAC Name: 3-bromo-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-hydroxyindole-2-carboxylic acid Traditional Name: 3-bromo-1-[4-fluoro-3-(trifluoromethyl)benzyl]-5-hydroxy-indole-2-carboxylic acid Formula: C17H10BrF4NO3 MolecularWeight: 432.163813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C3=C(C=C(C=C3)O)C(=C2C(=O)O)Br)C(F)(F)F)F

Isomeric SMILES

C1=CC(=C(C=C1CN2C3=C(C=C(C=C3)O)C(=C2C(=O)O)Br)C(F)(F)F)F

InChI

InChI=1S/C17H10BrF4NO3/c18-14-10-6-9(24)2-4-13(10)23(15(14)16(25)26)7-8-1-3-12(19)11(5-8)17(20,21)22/h1-6,24H,7H2,(H,25,26)