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

Systemtic Name: N,N-diethylethanamine; 2-(1H-indol-3-ylmethyl)-3-oxidanyl-8-(trifluoromethyloxy)quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-(trifluoromethoxy)quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-(trifluoromethoxy)-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 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; triethylamine Formula: C26H28F3N3O4 MolecularWeight: 503.51343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)CC.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.C6H15N/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;1-4-7(5-2)6-3/h1-7,9,24,26H,8H2,(H,27,28);4-6H2,1-3H3