7,8-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2H-isoquinolin-1-one

Systemtic Name: 7,8-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2H-isoquinolin-1-one Openeye Name: 7,8-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2H-isoquinolin-1-one CAS Name: 7,8-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2H-isoquinolin-1-one IUPAC Name: 7,8-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2H-isoquinolin-1-one Traditional Name: 7,8-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]isocarbostyril Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COCOCC1=CC2=C(C=C1C3=CC4=C(C(=C(C=C4)OC)OC)C(=O)N3)OCO2

Isomeric SMILES

COCOCC1=CC2=C(C=C1C3=CC4=C(C(=C(C=C4)OC)OC)C(=O)N3)OCO2

InChI

InChI=1S/C21H21NO7/c1-24-10-27-9-13-7-17-18(29-11-28-17)8-14(13)15-6-12-4-5-16(25-2)20(26-3)19(12)21(23)22-15/h4-8H,9-11H2,1-3H3,(H,22,23)