4-[[1-[(2,6-dicarboxypyridin-4-yl)oxymethyl]isoquinolin-3-yl]methoxy]pyridine-2,6-dicarboxylic acid

Systemtic Name: 4-[[1-[(2,6-dicarboxypyridin-4-yl)oxymethyl]isoquinolin-3-yl]methoxy]pyridine-2,6-dicarboxylic acid Openeye Name: 4-[[1-[(2,6-dicarboxy-4-pyridyl)oxymethyl]-3-isoquinolyl]methoxy]pyridine-2,6-dicarboxylic acid CAS Name: 4-[[1-[(2,6-dicarboxy-4-pyridinyl)oxymethyl]-3-isoquinolinyl]methoxy]pyridine-2,6-dicarboxylic acid IUPAC Name: 4-[[1-[(2,6-dicarboxypyridin-4-yl)oxymethyl]isoquinolin-3-yl]methoxy]pyridine-2,6-dicarboxylic acid Traditional Name: 4-[[1-[(2,6-dicarboxy-4-pyridyl)oxymethyl]-3-isoquinolyl]methoxy]dipicolinic acid Formula: C25H17N3O10 MolecularWeight: 519.41658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2COC3=CC(=NC(=C3)C(=O)O)C(=O)O)COC4=CC(=NC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2COC3=CC(=NC(=C3)C(=O)O)C(=O)O)COC4=CC(=NC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C25H17N3O10/c29-22(30)17-6-14(7-18(27-17)23(31)32)37-10-13-5-12-3-1-2-4-16(12)21(26-13)11-38-15-8-19(24(33)34)28-20(9-15)25(35)36/h1-9H,10-11H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)