2-(1H-indol-3-ylmethyl)-3-oxidanyl-6-(trifluoromethyloxy)quinoline-4-carboxylic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-3-oxidanyl-6-(trifluoromethyloxy)quinoline-4-carboxylic acid Openeye Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid CAS Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-6-(trifluoromethoxy)-4-quinolinecarboxylic acid IUPAC Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-6-(trifluoromethoxy)cinchoninic acid Formula: C20H13F3N2O4 MolecularWeight: 402.32343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3=C(C(=C4C=C(C=CC4=N3)OC(F)(F)F)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3=C(C(=C4C=C(C=CC4=N3)OC(F)(F)F)C(=O)O)O

InChI

InChI=1S/C20H13F3N2O4/c21-20(22,23)29-11-5-6-15-13(8-11)17(19(27)28)18(26)16(25-15)7-10-9-24-14-4-2-1-3-12(10)14/h1-6,8-9,24,26H,7H2,(H,27,28)