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

Systemtic Name: (3-butyl-7-methyl-6-oxidanylidene-7-propanoyloxy-isoquinolin-8-yl) cyclopentanecarboxylate Openeye Name: (3-butyl-7-methyl-6-oxo-7-propanoyloxy-8-isoquinolyl) cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic 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) cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid (3-butyl-6-keto-7-methyl-7-propionyloxy-8-isoquinolyl) ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=C2C=N1)OC(=O)C3CCCC3)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=C2C=N1)OC(=O)C3CCCC3)(C)OC(=O)CC

InChI

InChI=1S/C23H29NO5/c1-4-6-11-17-12-16-13-19(25)23(3,29-20(26)5-2)21(18(16)14-24-17)28-22(27)15-9-7-8-10-15/h12-15H,4-11H2,1-3H3