2,3-bis(oxidanyl)butanedioic acid; 2-[3-[4-(5-fluoranyl-2-propan-2-yloxy-phenyl)piperazin-1-yl]propyl]-5-oxidanyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 2-[3-[4-(5-fluoranyl-2-propan-2-yloxy-phenyl)piperazin-1-yl]propyl]-5-oxidanyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2,3-dihydroxybutanedioic acid; 2-[3-[4-(5-fluoro-2-isopropoxy-phenyl)piperazin-1-yl]propyl]-5-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2,3-dihydroxybutanedioic acid; 2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)-1-piperazinyl]propyl]-5-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2,3-dihydroxybutanedioic acid; 2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-5-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[3-[4-(5-fluoro-2-isopropoxy-phenyl)piperazino]propyl]-5-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone; tartaric acid Formula: C28H40FN3O10 MolecularWeight: 597.629703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)F)N2CCN(CC2)CCCN3C(=O)C4CCC(CC4C3=O)O.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)F)N2CCN(CC2)CCCN3C(=O)C4CCC(CC4C3=O)O.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C24H34FN3O4.C4H6O6/c1-16(2)32-22-7-4-17(25)14-21(22)27-12-10-26(11-13-27)8-3-9-28-23(30)19-6-5-18(29)15-20(19)24(28)31;5-1(3(7)8)2(6)4(9)10/h4,7,14,16,18-20,29H,3,5-6,8-13,15H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)