(Z)-but-2-enedioic acid; 2-[3-[4-(2-methoxy-5-methyl-phenyl)piperazin-1-yl]propyl]-5,6-bis(oxidanyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: (Z)-but-2-enedioic acid; 2-[3-[4-(2-methoxy-5-methyl-phenyl)piperazin-1-yl]propyl]-5,6-bis(oxidanyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 5,6-dihydroxy-2-[3-[4-(2-methoxy-5-methyl-phenyl)piperazin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione; maleic acid CAS Name: (Z)-2-butenedioic acid; 5,6-dihydroxy-2-[3-[4-(2-methoxy-5-methylphenyl)-1-piperazinyl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: (Z)-but-2-enedioic acid; 5,6-dihydroxy-2-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 5,6-dihydroxy-2-[3-[4-(2-methoxy-5-methyl-phenyl)piperazino]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone; maleic acid Formula: C27H37N3O9 MolecularWeight: 547.59738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CCN(CC2)CCCN3C(=O)C4CC(C(CC4C3=O)O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2CCN(CC2)CCCN3C(=O)C4CC(C(CC4C3=O)O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C23H33N3O5.C4H4O4/c1-15-4-5-21(31-2)18(12-15)25-10-8-24(9-11-25)6-3-7-26-22(29)16-13-19(27)20(28)14-17(16)23(26)30;5-3(6)1-2-4(7)8/h4-5,12,16-17,19-20,27-28H,3,6-11,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-