(E)-but-2-enedioic acid; 2-[[1-(2-cyclohexyl-2-oxidanyl-ethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-[[1-(2-cyclohexyl-2-oxidanyl-ethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one Openeye Name: 2-[[1-(2-cyclohexyl-2-hydroxy-ethyl)-4-piperidyl]methyl]isoindolin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[[1-(2-cyclohexyl-2-hydroxyethyl)-4-piperidinyl]methyl]-3H-isoindol-1-one IUPAC Name: (E)-but-2-enedioic acid; 2-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one Traditional Name: 2-[[1-(2-cyclohexyl-2-hydroxy-ethyl)-4-piperidyl]methyl]isoindolin-1-one; fumaric acid Formula: C26H36N2O6 MolecularWeight: 472.57384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CN2CCC(CC2)CN3CC4=CC=CC=C4C3=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(CN2CCC(CC2)CN3CC4=CC=CC=C4C3=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H32N2O2.C4H4O4/c25-21(18-6-2-1-3-7-18)16-23-12-10-17(11-13-23)14-24-15-19-8-4-5-9-20(19)22(24)26;5-3(6)1-2-4(7)8/h4-5,8-9,17-18,21,25H,1-3,6-7,10-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+