[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)ethanoate

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)ethanoate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(4-chlorophenyl)acetate CAS Name: 2-(4-chlorophenyl)acetic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate Traditional Name: 2-(4-chlorophenyl)acetic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)CC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)CC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H22ClNO5/c1-26-18-10-15-7-8-23(12-16(15)11-19(18)27-2)20(24)13-28-21(25)9-14-3-5-17(22)6-4-14/h3-6,10-11H,7-9,12-13H2,1-2H3