[1-(3-chlorophenyl)-6,7-dimethoxy-isoquinolin-3-yl]methyl ethanoate

Systemtic Name: [1-(3-chlorophenyl)-6,7-dimethoxy-isoquinolin-3-yl]methyl ethanoate Openeye Name: [1-(3-chlorophenyl)-6,7-dimethoxy-3-isoquinolyl]methyl acetate CAS Name: acetic acid [1-(3-chlorophenyl)-6,7-dimethoxy-3-isoquinolinyl]methyl ester IUPAC Name: [1-(3-chlorophenyl)-6,7-dimethoxyisoquinolin-3-yl]methyl acetate Traditional Name: acetic acid [1-(3-chlorophenyl)-6,7-dimethoxy-3-isoquinolyl]methyl ester Formula: C20H18ClNO4 MolecularWeight: 371.81422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC2=CC(=C(C=C2C(=N1)C3=CC(=CC=C3)Cl)OC)OC

Isomeric SMILES

CC(=O)OCC1=CC2=CC(=C(C=C2C(=N1)C3=CC(=CC=C3)Cl)OC)OC

InChI

InChI=1S/C20H18ClNO4/c1-12(23)26-11-16-8-14-9-18(24-2)19(25-3)10-17(14)20(22-16)13-5-4-6-15(21)7-13/h4-10H,11H2,1-3H3