ethyl 4-(4-cyano-6,7-dimethoxy-1-oxidanylidene-isoquinolin-2-yl)butanoate

Systemtic Name: ethyl 4-(4-cyano-6,7-dimethoxy-1-oxidanylidene-isoquinolin-2-yl)butanoate Openeye Name: ethyl 4-(4-cyano-6,7-dimethoxy-1-oxo-2-isoquinolyl)butanoate CAS Name: 4-(4-cyano-6,7-dimethoxy-1-oxo-2-isoquinolinyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(4-cyano-6,7-dimethoxy-1-oxoisoquinolin-2-yl)butanoate Traditional Name: 4-(4-cyano-1-keto-6,7-dimethoxy-2-isoquinolyl)butyric acid ethyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C#N

Isomeric SMILES

CCOC(=O)CCCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C#N

InChI

InChI=1S/C18H20N2O5/c1-4-25-17(21)6-5-7-20-11-12(10-19)13-8-15(23-2)16(24-3)9-14(13)18(20)22/h8-9,11H,4-7H2,1-3H3