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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5/c1-4-28-21(25)20(24)23-9-8-13-11-17(26-2)18(27-3)12-16(13)19(23)14-6-5-7-15(22)10-14/h5-7,10-12,19H,4,8-9H2,1-3H3