(Z)-but-2-enedioic acid; 2-[3-[4-(5-fluoranyl-2-propan-2-yloxy-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-(5-fluoranyl-2-propan-2-yloxy-phenyl)piperazin-1-yl]propyl]-5,6-bis(oxidanyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[3-[4-(5-fluoro-2-isopropoxy-phenyl)piperazin-1-yl]propyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)-1-piperazinyl]propyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: (Z)-but-2-enedioic acid; 2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[3-[4-(5-fluoro-2-isopropoxy-phenyl)piperazino]propyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone; maleic acid Formula: C28H38FN3O9 MolecularWeight: 579.614423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)F)N2CCN(CC2)CCCN3C(=O)C4CC(C(CC4C3=O)O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)F)N2CCN(CC2)CCCN3C(=O)C4CC(C(CC4C3=O)O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C24H34FN3O5.C4H4O4/c1-15(2)33-22-5-4-16(25)12-19(22)27-10-8-26(9-11-27)6-3-7-28-23(31)17-13-20(29)21(30)14-18(17)24(28)32;5-3(6)1-2-4(7)8/h4-5,12,15,17-18,20-21,29-30H,3,6-11,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-