ethyl 4-[6,7-bis(ethoxycarbonyloxy)-1-oxidanylidene-isoquinolin-2-yl]butanoate

Systemtic Name: ethyl 4-[6,7-bis(ethoxycarbonyloxy)-1-oxidanylidene-isoquinolin-2-yl]butanoate Openeye Name: ethyl 4-[6,7-bis(ethoxycarbonyloxy)-1-oxo-2-isoquinolyl]butanoate CAS Name: 4-[6,7-bis(ethoxycarbonyloxy)-1-oxo-2-isoquinolinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[6,7-bis(ethoxycarbonyloxy)-1-oxoisoquinolin-2-yl]butanoate Traditional Name: 4-(6,7-dicarbethoxyoxy-1-keto-2-isoquinolyl)butyric acid ethyl ester Formula: C21H25NO9 MolecularWeight: 435.4245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=CC2=CC(=C(C=C2C1=O)OC(=O)OCC)OC(=O)OCC

Isomeric SMILES

CCOC(=O)CCCN1C=CC2=CC(=C(C=C2C1=O)OC(=O)OCC)OC(=O)OCC

InChI

InChI=1S/C21H25NO9/c1-4-27-18(23)8-7-10-22-11-9-14-12-16(30-20(25)28-5-2)17(13-15(14)19(22)24)31-21(26)29-6-3/h9,11-13H,4-8,10H2,1-3H3