(Z)-but-2-enedioic acid; 2-[3-[4-(2-cyclopentyloxyphenyl)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-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-5,6-bis(oxidanyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[3-[4-[2-(cyclopentoxy)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-(2-cyclopentyloxyphenyl)-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-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[3-[4-[2-(cyclopentoxy)phenyl]piperazino]propyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone; maleic acid Formula: C30H41N3O9 MolecularWeight: 587.66124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC=C2N3CCN(CC3)CCCN4C(=O)C5CC(C(CC5C4=O)O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCC(C1)OC2=CC=CC=C2N3CCN(CC3)CCCN4C(=O)C5CC(C(CC5C4=O)O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C26H37N3O5.C4H4O4/c30-22-16-19-20(17-23(22)31)26(33)29(25(19)32)11-5-10-27-12-14-28(15-13-27)21-8-3-4-9-24(21)34-18-6-1-2-7-18;5-3(6)1-2-4(7)8/h3-4,8-9,18-20,22-23,30-31H,1-2,5-7,10-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1-