3-methyl-2-(1-methyl-7-phenyl-indol-3-yl)-6-(trifluoromethyl)quinoline-4-carboxylic acid

Systemtic Name: 3-methyl-2-(1-methyl-7-phenyl-indol-3-yl)-6-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 3-methyl-2-(1-methyl-7-phenyl-indol-3-yl)-6-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 3-methyl-2-(1-methyl-7-phenyl-3-indolyl)-6-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 3-methyl-2-(1-methyl-7-phenylindol-3-yl)-6-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 3-methyl-2-(1-methyl-7-phenyl-indol-3-yl)-6-(trifluoromethyl)cinchoninic acid Formula: C27H19F3N2O2 MolecularWeight: 460.44717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)O)C(F)(F)F)C3=CN(C4=C3C=CC=C4C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)O)C(F)(F)F)C3=CN(C4=C3C=CC=C4C5=CC=CC=C5)C

InChI

InChI=1S/C27H19F3N2O2/c1-15-23(26(33)34)20-13-17(27(28,29)30)11-12-22(20)31-24(15)21-14-32(2)25-18(9-6-10-19(21)25)16-7-4-3-5-8-16/h3-14H,1-2H3,(H,33,34)