(4-isoquinolin-3-ylcarbonyloxy-4-oxidanylidene-butanimidoyl) isoquinoline-3-carboxylate

Systemtic Name: (4-isoquinolin-3-ylcarbonyloxy-4-oxidanylidene-butanimidoyl) isoquinoline-3-carboxylate Openeye Name: [4-(isoquinoline-3-carbonyloxy)-4-oxo-butanimidoyl] isoquinoline-3-carboxylate CAS Name: 3-isoquinolinecarboxylic acid [1-imino-4-[3-isoquinolinyl(oxo)methoxy]-4-oxobutyl] ester IUPAC Name: [4-(isoquinoline-3-carbonyloxy)-4-oxobutanimidoyl] isoquinoline-3-carboxylate Traditional Name: isoquinoline-3-carboxylic acid [4-(isoquinoline-3-carbonyloxy)-4-keto-butanimidoyl] ester Formula: C24H17N3O5 MolecularWeight: 427.40888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)OC(=N)CCC(=O)OC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)OC(=N)CCC(=O)OC(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C24H17N3O5/c25-21(31-23(29)19-11-15-5-1-3-7-17(15)13-26-19)9-10-22(28)32-24(30)20-12-16-6-2-4-8-18(16)14-27-20/h1-8,11-14,25H,9-10H2