3-[[6-(2-dimethylaminoethyl)-4-oxidanyl-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-2-benzofuran-1-one

Systemtic Name: 3-[[6-(2-dimethylaminoethyl)-4-oxidanyl-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-2-benzofuran-1-one Openeye Name: 3-[[6-(2-dimethylaminoethyl)-4-hydroxy-1,3-benzodioxol-5-yl]methylene]-6,7-dimethoxy-isobenzofuran-1-one CAS Name: 3-[[6-(2-dimethylaminoethyl)-4-hydroxy-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-1-isobenzofuranone IUPAC Name: 3-[[6-(2-dimethylaminoethyl)-4-hydroxy-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-2-benzofuran-1-one Traditional Name: 3-[[6-(2-dimethylaminoethyl)-4-hydroxy-1,3-benzodioxol-5-yl]methylene]-6,7-dimethoxy-phthalide Formula: C22H23NO7 MolecularWeight: 413.42052

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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)O)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO7/c1-23(2)8-7-12-9-17-21(29-11-28-17)19(24)14(12)10-16-13-5-6-15(26-3)20(27-4)18(13)22(25)30-16/h5-6,9-10,24H,7-8,11H2,1-4H3