N-[2-(1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-homopiperonyl-1-keto-7,8-dimethoxy-isochroman-3-carboxamide Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CC(OC2=O)C(=O)NCCC3=CC4=C(C=C3)OCO4)C=C1)OC

Isomeric SMILES

COC1=C(C2=C(CC(OC2=O)C(=O)NCCC3=CC4=C(C=C3)OCO4)C=C1)OC

InChI

InChI=1S/C21H21NO7/c1-25-15-6-4-13-10-17(29-21(24)18(13)19(15)26-2)20(23)22-8-7-12-3-5-14-16(9-12)28-11-27-14/h3-6,9,17H,7-8,10-11H2,1-2H3,(H,22,23)