3-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-3,4-dihydroisochromen-1-one Openeye Name: 3-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-isochroman-1-one CAS Name: 3-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-3,4-dihydroisochromen-1-one Traditional Name: 3-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-isochroman-1-one Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC2=C(C=C1C3CC4=C(C(=C(C=C4)OC)OC)C(=O)O3)OCO2

Isomeric SMILES

CN(C)CCC1=CC2=C(C=C1C3CC4=C(C(=C(C=C4)OC)OC)C(=O)O3)OCO2

InChI

InChI=1S/C22H25NO6/c1-23(2)8-7-13-9-18-19(28-12-27-18)11-15(13)17-10-14-5-6-16(25-3)21(26-4)20(14)22(24)29-17/h5-6,9,11,17H,7-8,10,12H2,1-4H3