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

Systemtic Name: ethyl 5-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 5-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-keto-cyclohexanecarboxylic acid ethyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CCN=C2C3CCC(=O)C(C3)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CCN=C2C3CCC(=O)C(C3)C(=O)OCC)OCC

InChI

InChI=1S/C22H29NO5/c1-4-26-19-12-14-9-10-23-21(16(14)13-20(19)27-5-2)15-7-8-18(24)17(11-15)22(25)28-6-3/h12-13,15,17H,4-11H2,1-3H3