(E)-but-2-enedioic acid; 1-[(5,8-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-methyl-piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-[(5,8-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-methyl-piperazine Openeye Name: 1-[(5,8-dimethoxyisochroman-1-yl)methyl]-4-methyl-piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[(5,8-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-methylpiperazine IUPAC Name: (E)-but-2-enedioic acid; 1-[(5,8-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-methylpiperazine Traditional Name: 1-[(5,8-dimethoxyisochroman-1-yl)methyl]-4-methyl-piperazine; fumaric acid Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2C3=C(C=CC(=C3CCO2)OC)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC2C3=C(C=CC(=C3CCO2)OC)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H26N2O3.C4H4O4/c1-18-7-9-19(10-8-18)12-16-17-13(6-11-22-16)14(20-2)4-5-15(17)21-3;5-3(6)1-2-4(7)8/h4-5,16H,6-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+