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

Systemtic Name: methyl 5-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5/c1-4-26-18-11-13-8-9-22-20(15(13)12-19(18)27-5-2)14-6-7-17(23)16(10-14)21(24)25-3/h11-12,14,16H,4-10H2,1-3H3