2-(4-aminophenyl)-6-(6-bromanyl-4-carboxy-quinolin-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-aminophenyl)-6-(6-bromanyl-4-carboxy-quinolin-2-yl)quinoline-4-carboxylic acid Openeye Name: 2-(4-aminophenyl)-6-(6-bromo-4-carboxy-2-quinolyl)quinoline-4-carboxylic acid CAS Name: 2-(4-aminophenyl)-6-(6-bromo-4-carboxy-2-quinolinyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-aminophenyl)-6-(6-bromo-4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid Traditional Name: 2-(4-aminophenyl)-6-(6-bromo-4-carboxy-2-quinolyl)cinchoninic acid Formula: C26H16BrN3O4 MolecularWeight: 514.32694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)O)C(=C2)C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)O)C(=C2)C(=O)O)N

InChI

InChI=1S/C26H16BrN3O4/c27-15-4-8-22-18(10-15)20(26(33)34)12-24(30-22)14-3-7-21-17(9-14)19(25(31)32)11-23(29-21)13-1-5-16(28)6-2-13/h1-12H,28H2,(H,31,32)(H,33,34)