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

Systemtic Name: (E)-but-2-enedioic acid; 2-[[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one Openeye Name: fumaric acid; 2-[[1-[2-oxo-2-(1-piperidyl)ethyl]-4-piperidyl]methyl]isoindolin-1-one CAS Name: (E)-2-butenedioic acid; 2-[[1-[2-oxo-2-(1-piperidinyl)ethyl]-4-piperidinyl]methyl]-3H-isoindol-1-one IUPAC Name: (E)-but-2-enedioic acid; 2-[[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one Traditional Name: fumaric acid; 2-[[1-(2-keto-2-piperidino-ethyl)-4-piperidyl]methyl]isoindolin-1-one Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCC(CC2)CN3CC4=CC=CC=C4C3=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCC(CC2)CN3CC4=CC=CC=C4C3=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H29N3O2.C4H4O4/c25-20(23-10-4-1-5-11-23)16-22-12-8-17(9-13-22)14-24-15-18-6-2-3-7-19(18)21(24)26;5-3(6)1-2-4(7)8/h2-3,6-7,17H,1,4-5,8-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+