ethyl 5-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl 5-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 5-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-keto-cyclohexanecarboxylic acid ethyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CCC1=O)C2=NCCC3=CC(=C(C=C32)OC)OC

Isomeric SMILES

CCOC(=O)C1CC(CCC1=O)C2=NCCC3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C20H25NO5/c1-4-26-20(23)15-9-13(5-6-16(15)22)19-14-11-18(25-3)17(24-2)10-12(14)7-8-21-19/h10-11,13,15H,4-9H2,1-3H3