2-(5-bromanyl-1-methyl-indol-3-yl)-6-(trifluoromethyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(5-bromanyl-1-methyl-indol-3-yl)-6-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 2-(5-bromo-1-methyl-indol-3-yl)-6-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-1-methyl-3-indolyl)-6-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1-methylindol-3-yl)-6-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 2-(5-bromo-1-methyl-indol-3-yl)-6-(trifluoromethyl)cinchoninic acid Formula: C20H12BrF3N2O2 MolecularWeight: 449.22069

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)C(F)(F)F)C(=C3)C(=O)O

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)C(F)(F)F)C(=C3)C(=O)O

InChI

InChI=1S/C20H12BrF3N2O2/c1-26-9-15(13-7-11(21)3-5-18(13)26)17-8-14(19(27)28)12-6-10(20(22,23)24)2-4-16(12)25-17/h2-9H,1H3,(H,27,28)