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

Systemtic Name: 3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methyl]-6,7-dimethoxy-3-oxidanyl-2-benzofuran-1-one Openeye Name: 3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methyl]-3-hydroxy-6,7-dimethoxy-isobenzofuran-1-one CAS Name: 3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methyl]-3-hydroxy-6,7-dimethoxy-1-isobenzofuranone IUPAC Name: 3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methyl]-3-hydroxy-6,7-dimethoxy-2-benzofuran-1-one Traditional Name: 3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methyl]-3-hydroxy-6,7-dimethoxy-phthalide Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC2=C(C=C1CC3(C4=C(C(=C(C=C4)OC)OC)C(=O)O3)O)OCO2

Isomeric SMILES

CN(C)CCC1=CC2=C(C=C1CC3(C4=C(C(=C(C=C4)OC)OC)C(=O)O3)O)OCO2

InChI

InChI=1S/C22H25NO7/c1-23(2)8-7-13-9-17-18(29-12-28-17)10-14(13)11-22(25)15-5-6-16(26-3)20(27-4)19(15)21(24)30-22/h5-6,9-10,25H,7-8,11-12H2,1-4H3