2-(5-carboxyquinolin-6-yl)quinoline-4-carboxylic acid

Systemtic Name: 2-(5-carboxyquinolin-6-yl)quinoline-4-carboxylic acid Openeye Name: 2-(5-carboxy-6-quinolyl)quinoline-4-carboxylic acid CAS Name: 2-(5-carboxy-6-quinolinyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-carboxyquinolin-6-yl)quinoline-4-carboxylic acid Traditional Name: 2-(5-carboxy-6-quinolyl)cinchoninic acid Formula: C20H12N2O4 MolecularWeight: 344.32028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C4=C(C=C3)N=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C4=C(C=C3)N=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C20H12N2O4/c23-19(24)14-10-17(22-16-6-2-1-4-11(14)16)13-7-8-15-12(5-3-9-21-15)18(13)20(25)26/h1-10H,(H,23,24)(H,25,26)