(E)-but-2-enedioic acid; 3-[1-[2-(6,7-dimethoxy-3-methyl-2H-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: (E)-but-2-enedioic acid; 3-[1-[2-(6,7-dimethoxy-3-methyl-2H-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-(6,7-dimethoxy-3-methyl-2H-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]-4-piperidyl]-1H-benzimidazol-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[1-[2-(6,7-dimethoxy-3-methyl-2H-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: (E)-but-2-enedioic acid; 3-[1-[2-(6,7-dimethoxy-3-methyl-2H-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-(6,7-dimethoxy-3-methyl-2H-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]-4-piperidyl]-1H-benzimidazol-2-one; fumaric acid Formula: C29H35N3O10 MolecularWeight: 585.6023

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=CC(=C(C=C2O1)OC)OC)C(CN3CCC(CC3)N4C5=CC=CC=C5NC4=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(COC2=CC(=C(C=C2O1)OC)OC)C(CN3CCC(CC3)N4C5=CC=CC=C5NC4=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H31N3O6.C4H4O4/c1-25(15-33-21-12-19(31-2)20(32-3)13-22(21)34-25)23(29)14-27-10-8-16(9-11-27)28-18-7-5-4-6-17(18)26-24(28)30;5-3(6)1-2-4(7)8/h4-7,12-13,16,23,29H,8-11,14-15H2,1-3H3,(H,26,30);1-2H,(H,5,6)(H,7,8)/b;2-1+