(3-butyl-7-methyl-6-oxidanylidene-7-propanoyloxy-isoquinolin-8-yl) quinoxaline-2-carboxylate

Systemtic Name: (3-butyl-7-methyl-6-oxidanylidene-7-propanoyloxy-isoquinolin-8-yl) quinoxaline-2-carboxylate Openeye Name: (3-butyl-7-methyl-6-oxo-7-propanoyloxy-8-isoquinolyl) quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [3-butyl-7-methyl-6-oxo-7-(1-oxopropoxy)-8-isoquinolinyl] ester IUPAC Name: (3-butyl-7-methyl-6-oxo-7-propanoyloxyisoquinolin-8-yl) quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid (3-butyl-6-keto-7-methyl-7-propionyloxy-8-isoquinolyl) ester Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=C2C=N1)OC(=O)C3=NC4=CC=CC=C4N=C3)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=C2C=N1)OC(=O)C3=NC4=CC=CC=C4N=C3)(C)OC(=O)CC

InChI

InChI=1S/C26H25N3O5/c1-4-6-9-17-12-16-13-22(30)26(3,34-23(31)5-2)24(18(16)14-27-17)33-25(32)21-15-28-19-10-7-8-11-20(19)29-21/h7-8,10-15H,4-6,9H2,1-3H3