2-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)-3,6,7-trimethoxy-isoindol-1-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)-3,6,7-trimethoxy-isoindol-1-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)-3,6,7-trimethoxy-isoindolin-1-one CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)-3,6,7-trimethoxy-1-isoindolone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)-3,6,7-trimethoxyisoindol-1-one Traditional Name: 2-homopiperonyl-3,6,7-trimethoxy-3-methylol-isoindolin-1-one Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(N(C2=O)CCC3=CC4=C(C=C3)OCO4)(CO)OC)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(N(C2=O)CCC3=CC4=C(C=C3)OCO4)(CO)OC)OC

InChI

InChI=1S/C21H23NO7/c1-25-16-7-5-14-18(19(16)26-2)20(24)22(21(14,11-23)27-3)9-8-13-4-6-15-17(10-13)29-12-28-15/h4-7,10,23H,8-9,11-12H2,1-3H3