(E)-but-2-enedioic acid; 2-(4-pyrrolidin-1-ylbut-2-ynyl)-3H-isoindol-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-pyrrolidin-1-ylbut-2-ynyl)-3H-isoindol-1-one Openeye Name: fumaric acid; 2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindolin-1-one CAS Name: (E)-2-butenedioic acid; 2-[4-(1-pyrrolidinyl)but-2-ynyl]-3H-isoindol-1-one IUPAC Name: (E)-but-2-enedioic acid; 2-(4-pyrrolidin-1-ylbut-2-ynyl)-3H-isoindol-1-one Traditional Name: fumaric acid; 2-(4-pyrrolidinobut-2-ynyl)isoindolin-1-one Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCN2CC3=CC=CC=C3C2=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)CC#CCN2CC3=CC=CC=C3C2=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H18N2O.C4H4O4/c19-16-15-8-2-1-7-14(15)13-18(16)12-6-5-11-17-9-3-4-10-17;5-3(6)1-2-4(7)8/h1-2,7-8H,3-4,9-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+