2-(1H-indol-3-ylmethyl)-3-oxidanyl-8-(trifluoromethyloxy)quinoline-4-carboxylic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-3-oxidanyl-8-(trifluoromethyloxy)quinoline-4-carboxylic acid Openeye Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-(trifluoromethoxy)quinoline-4-carboxylic acid CAS Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-(trifluoromethoxy)-4-quinolinecarboxylic acid IUPAC Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-(trifluoromethoxy)quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-(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=CC=C(C4=N3)OC(F)(F)F)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3=C(C(=C4C=CC=C(C4=N3)OC(F)(F)F)C(=O)O)O

InChI

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