N-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyano-1-benzofuran-5-carboxamide; (E)-but-2-enedioic acid

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyano-1-benzofuran-5-carboxamide; (E)-but-2-enedioic acid Openeye Name: 3-cyano-N-quinuclidin-3-yl-benzofuran-5-carboxamide; fumaric acid CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyano-5-benzofurancarboxamide; (E)-2-butenedioic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyano-1-benzofuran-5-carboxamide; (E)-but-2-enedioic acid Traditional Name: 3-cyano-N-quinuclidin-3-yl-benzofuran-5-carboxamide; fumaric acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC4=C(C=C3)OC=C4C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC4=C(C=C3)OC=C4C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H17N3O2.C4H4O4/c18-8-13-10-22-16-2-1-12(7-14(13)16)17(21)19-15-9-20-5-3-11(15)4-6-20;5-3(6)1-2-4(7)8/h1-2,7,10-11,15H,3-6,9H2,(H,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1+