2-[(5-chloranyl-1H-indol-3-yl)methyl]-3-oxidanyl-8-(trifluoromethyl)quinoline-4-carboxylic acid

Systemtic Name: 2-[(5-chloranyl-1H-indol-3-yl)methyl]-3-oxidanyl-8-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 2-[(5-chloro-1H-indol-3-yl)methyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 2-[(5-chloro-1H-indol-3-yl)methyl]-3-hydroxy-8-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 2-[(5-chloro-1H-indol-3-yl)methyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 2-[(5-chloro-1H-indol-3-yl)methyl]-3-hydroxy-8-(trifluoromethyl)cinchoninic acid Formula: C20H12ClF3N2O3 MolecularWeight: 420.76909

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(N=C2C(=C1)C(F)(F)F)CC3=CNC4=C3C=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C(N=C2C(=C1)C(F)(F)F)CC3=CNC4=C3C=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C20H12ClF3N2O3/c21-10-4-5-14-12(7-10)9(8-25-14)6-15-18(27)16(19(28)29)11-2-1-3-13(17(11)26-15)20(22,23)24/h1-5,7-8,25,27H,6H2,(H,28,29)