2-[6-(4-carboxy-6-methyl-quinolin-2-yl)pyridin-2-yl]-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[6-(4-carboxy-6-methyl-quinolin-2-yl)pyridin-2-yl]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[6-(4-carboxy-6-methyl-2-quinolyl)-2-pyridyl]-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-[6-(4-carboxy-6-methyl-2-quinolinyl)-2-pyridinyl]-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[6-(4-carboxy-6-methylquinolin-2-yl)pyridin-2-yl]-6-methylquinoline-4-carboxylic acid Traditional Name: 2-[6-(4-carboxy-6-methyl-2-quinolyl)-2-pyridyl]-6-methyl-cinchoninic acid Formula: C27H19N3O4 MolecularWeight: 449.45746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=NC(=CC=C3)C4=NC5=C(C=C(C=C5)C)C(=C4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=NC(=CC=C3)C4=NC5=C(C=C(C=C5)C)C(=C4)C(=O)O

InChI

InChI=1S/C27H19N3O4/c1-14-6-8-20-16(10-14)18(26(31)32)12-24(28-20)22-4-3-5-23(30-22)25-13-19(27(33)34)17-11-15(2)7-9-21(17)29-25/h3-13H,1-2H3,(H,31,32)(H,33,34)