ethyl 1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-[2-(4-chlorophenyl)-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[2-(4-chlorophenyl)-2-keto-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC(=O)C3=CC=C(C=C3)Cl)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC(=O)C3=CC=C(C=C3)Cl)OC)OC

InChI

InChI=1S/C22H24ClNO5/c1-4-29-22(26)24-10-9-15-11-20(27-2)21(28-3)12-17(15)18(24)13-19(25)14-5-7-16(23)8-6-14/h5-8,11-12,18H,4,9-10,13H2,1-3H3