4-isoquinolin-1-ylisoquinoline-1,3-dicarboxylic acid

Systemtic Name: 4-isoquinolin-1-ylisoquinoline-1,3-dicarboxylic acid Openeye Name: 4-(1-isoquinolyl)isoquinoline-1,3-dicarboxylic acid CAS Name: 4-(1-isoquinolinyl)isoquinoline-1,3-dicarboxylic acid IUPAC Name: 4-isoquinolin-1-ylisoquinoline-1,3-dicarboxylic acid Traditional Name: 4-(1-isoquinolyl)isoquinoline-1,3-dicarboxylic acid Formula: C20H12N2O4 MolecularWeight: 344.32028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C3=C(N=C(C4=CC=CC=C43)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C3=C(N=C(C4=CC=CC=C43)C(=O)O)C(=O)O

InChI

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