3-[2-(2-hydroxyethyl)-4,5-dimethoxy-phenyl]-6,7-dimethoxy-2H-isoquinolin-1-one

Systemtic Name: 3-[2-(2-hydroxyethyl)-4,5-dimethoxy-phenyl]-6,7-dimethoxy-2H-isoquinolin-1-one Openeye Name: 3-[2-(2-hydroxyethyl)-4,5-dimethoxy-phenyl]-6,7-dimethoxy-2H-isoquinolin-1-one CAS Name: 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6,7-dimethoxy-2H-isoquinolin-1-one IUPAC Name: 3-[2-(2-hydroxyethyl)-4,5-dimethoxyphenyl]-6,7-dimethoxy-2H-isoquinolin-1-one Traditional Name: 3-[2-(2-hydroxyethyl)-4,5-dimethoxy-phenyl]-6,7-dimethoxy-isocarbostyril Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(NC2=O)C3=CC(=C(C=C3CCO)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(NC2=O)C3=CC(=C(C=C3CCO)OC)OC)OC

InChI

InChI=1S/C21H23NO6/c1-25-17-8-12(5-6-23)14(10-19(17)27-3)16-7-13-9-18(26-2)20(28-4)11-15(13)21(24)22-16/h7-11,23H,5-6H2,1-4H3,(H,22,24)