2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]-5,6-dimethoxy-isoindole-1,3-dione

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]-5,6-dimethoxy-isoindole-1,3-dione Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]-5,6-dimethoxy-isoindoline-1,3-dione CAS Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]-5,6-dimethoxyisoindole-1,3-dione IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]-5,6-dimethoxyisoindole-1,3-dione Traditional Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]-5,6-dimethoxy-isoindoline-1,3-quinone Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C2=O)CCCNCC3COC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C2=O)CCCNCC3COC4=CC=CC=C4O3)OC

InChI

InChI=1S/C22H24N2O6/c1-27-19-10-15-16(11-20(19)28-2)22(26)24(21(15)25)9-5-8-23-12-14-13-29-17-6-3-4-7-18(17)30-14/h3-4,6-7,10-11,14,23H,5,8-9,12-13H2,1-2H3