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

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 5-fluoranyl-2-[3-[4-(5-fluoranyl-2-propan-2-yloxy-phenyl)piperazin-1-yl]propyl]-6-oxidanyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2,3-dihydroxybutanedioic acid; 5-fluoro-2-[3-[4-(5-fluoro-2-isopropoxy-phenyl)piperazin-1-yl]propyl]-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2,3-dihydroxybutanedioic acid; 5-fluoro-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)-1-piperazinyl]propyl]-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2,3-dihydroxybutanedioic acid; 5-fluoro-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)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-isopropoxy-phenyl)piperazino]propyl]-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone; tartaric acid Formula: C28H39F2N3O10 MolecularWeight: 615.620166

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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)F)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)C4CC(C(CC4C3=O)F)O.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C24H33F2N3O4.C4H6O6/c1-15(2)33-22-5-4-16(25)12-20(22)28-10-8-27(9-11-28)6-3-7-29-23(31)17-13-19(26)21(30)14-18(17)24(29)32;5-1(3(7)8)2(6)4(9)10/h4-5,12,15,17-19,21,30H,3,6-11,13-14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)