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

Systemtic Name: (3-butyl-7-methyl-6-oxidanylidene-7-propanoyloxy-isoquinolin-8-yl) 6-chloranylpyridine-3-carboxylate Openeye Name: (3-butyl-7-methyl-6-oxo-7-propanoyloxy-8-isoquinolyl) 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic 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) 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (3-butyl-6-keto-7-methyl-7-propionyloxy-8-isoquinolyl) ester Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=C2C=N1)OC(=O)C3=CN=C(C=C3)Cl)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=C2C=N1)OC(=O)C3=CN=C(C=C3)Cl)(C)OC(=O)CC

InChI

InChI=1S/C23H23ClN2O5/c1-4-6-7-16-10-15-11-18(27)23(3,31-20(28)5-2)21(17(15)13-25-16)30-22(29)14-8-9-19(24)26-12-14/h8-13H,4-7H2,1-3H3