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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C3=C(N=C(C4=CC=CC=C43)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C3=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)16(18(22-17)20(25)26)15-9-11-5-1-2-6-12(11)10-21-15/h1-10H,(H,23,24)(H,25,26)