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

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

CC(=O)OCC(=O)N1CCC2=CC(=C(C=C2C1C3=CC(=CC=C3)Cl)OC)OC

Isomeric SMILES

CC(=O)OCC(=O)N1CCC2=CC(=C(C=C2C1C3=CC(=CC=C3)Cl)OC)OC

InChI

InChI=1S/C21H22ClNO5/c1-13(24)28-12-20(25)23-8-7-14-10-18(26-2)19(27-3)11-17(14)21(23)15-5-4-6-16(22)9-15/h4-6,9-11,21H,7-8,12H2,1-3H3