3-[2-(2-hydroxyethyl)-4,5-dimethoxy-phenyl]-7,8-dimethoxy-2H-isoquinolin-1-one

Systemtic Name: 3-[2-(2-hydroxyethyl)-4,5-dimethoxy-phenyl]-7,8-dimethoxy-2H-isoquinolin-1-one Openeye Name: 3-[2-(2-hydroxyethyl)-4,5-dimethoxy-phenyl]-7,8-dimethoxy-2H-isoquinolin-1-one CAS Name: 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-7,8-dimethoxy-2H-isoquinolin-1-one IUPAC Name: 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-7,8-dimethoxy-2H-isoquinolin-1-one Traditional Name: 3-[2-(2-hydroxyethyl)-4,5-dimethoxy-phenyl]-7,8-dimethoxy-isocarbostyril Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(NC2=O)C3=CC(=C(C=C3CCO)OC)OC)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(NC2=O)C3=CC(=C(C=C3CCO)OC)OC)OC

InChI

InChI=1S/C21H23NO6/c1-25-16-6-5-13-9-15(22-21(24)19(13)20(16)28-4)14-11-18(27-3)17(26-2)10-12(14)7-8-23/h5-6,9-11,23H,7-8H2,1-4H3,(H,22,24)