(5-chloranyl-3-heptyl-8-methoxy-7-methyl-6-oxidanylidene-isoquinolin-7-yl) ethanoate

Systemtic Name: (5-chloranyl-3-heptyl-8-methoxy-7-methyl-6-oxidanylidene-isoquinolin-7-yl) ethanoate Openeye Name: (5-chloro-3-heptyl-8-methoxy-7-methyl-6-oxo-7-isoquinolyl) acetate CAS Name: acetic acid (5-chloro-3-heptyl-8-methoxy-7-methyl-6-oxo-7-isoquinolinyl) ester IUPAC Name: (5-chloro-3-heptyl-8-methoxy-7-methyl-6-oxoisoquinolin-7-yl) acetate Traditional Name: acetic acid (5-chloro-3-heptyl-6-keto-8-methoxy-7-methyl-7-isoquinolyl) ester Formula: C20H26ClNO4 MolecularWeight: 379.87774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C(=O)C(C(=C2C=N1)OC)(C)OC(=O)C)Cl

Isomeric SMILES

CCCCCCCC1=CC2=C(C(=O)C(C(=C2C=N1)OC)(C)OC(=O)C)Cl

InChI

InChI=1S/C20H26ClNO4/c1-5-6-7-8-9-10-14-11-15-16(12-22-14)19(25-4)20(3,26-13(2)23)18(24)17(15)21/h11-12H,5-10H2,1-4H3