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

Systemtic Name: (Z)-but-2-enedioic acid; 5-fluoranyl-2-[3-[4-(5-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]propyl]-6-oxidanyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 5-fluoro-2-[3-[4-(5-fluoro-2-methoxy-phenyl)piperazin-1-yl]propyl]-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione; maleic acid CAS Name: (Z)-2-butenedioic acid; 5-fluoro-2-[3-[4-(5-fluoro-2-methoxyphenyl)-1-piperazinyl]propyl]-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: (Z)-but-2-enedioic acid; 5-fluoro-2-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 5-fluoro-2-[3-[4-(5-fluoro-2-methoxy-phenyl)piperazino]propyl]-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone; maleic acid Formula: C26H33F2N3O8 MolecularWeight: 553.552326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)N2CCN(CC2)CCCN3C(=O)C4CC(C(CC4C3=O)F)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)F)N2CCN(CC2)CCCN3C(=O)C4CC(C(CC4C3=O)F)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H29F2N3O4.C4H4O4/c1-31-20-4-3-14(23)11-18(20)26-9-7-25(8-10-26)5-2-6-27-21(29)15-12-17(24)19(28)13-16(15)22(27)30;5-3(6)1-2-4(7)8/h3-4,11,15-17,19,28H,2,5-10,12-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-