(3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-2-benzofuran-1-one

Systemtic Name: (3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-2-benzofuran-1-one Openeye Name: (3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylene]-6,7-dimethoxy-isobenzofuran-1-one CAS Name: (3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-1-isobenzofuranone IUPAC Name: (3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-2-benzofuran-1-one Traditional Name: (3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylene]-6,7-dimethoxy-phthalide Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC2=C(C=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)OCO2

Isomeric SMILES

CN(C)CCC1=CC2=C(C=C1/C=C/3\C4=C(C(=C(C=C4)OC)OC)C(=O)O3)OCO2

InChI

InChI=1S/C22H23NO6/c1-23(2)8-7-13-9-18-19(28-12-27-18)11-14(13)10-17-15-5-6-16(25-3)21(26-4)20(15)22(24)29-17/h5-6,9-11H,7-8,12H2,1-4H3/b17-10+