2-morpholin-4-ylethyl 4-(6,7-dimethoxy-1-oxidanylidene-isoquinolin-2-yl)butanoate hydrochloride

Systemtic Name: 2-morpholin-4-ylethyl 4-(6,7-dimethoxy-1-oxidanylidene-isoquinolin-2-yl)butanoate hydrochloride Openeye Name: 2-morpholinoethyl 4-(6,7-dimethoxy-1-oxo-2-isoquinolyl)butanoate hydrochloride CAS Name: 4-(6,7-dimethoxy-1-oxo-2-isoquinolinyl)butanoic acid 2-(4-morpholinyl)ethyl ester hydrochloride IUPAC Name: 2-morpholin-4-ylethyl 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)butanoate hydrochloride Traditional Name: 4-(1-keto-6,7-dimethoxy-2-isoquinolyl)butyric acid 2-morpholinoethyl ester hydrochloride Formula: C21H29ClN2O6 MolecularWeight: 440.91776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN(C2=O)CCCC(=O)OCCN3CCOCC3)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN(C2=O)CCCC(=O)OCCN3CCOCC3)OC.Cl

InChI

InChI=1S/C21H28N2O6.ClH/c1-26-18-14-16-5-7-23(21(25)17(16)15-19(18)27-2)6-3-4-20(24)29-13-10-22-8-11-28-12-9-22;/h5,7,14-15H,3-4,6,8-13H2,1-2H3;1H