N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxy-quinoline-2-carboxamide; (E)-but-2-enedioic acid

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxy-quinoline-2-carboxamide; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 4-methoxy-N-quinuclidin-3-yl-quinoline-2-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxy-2-quinolinecarboxamide; (E)-2-butenedioic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxyquinoline-2-carboxamide; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 4-methoxy-N-quinuclidin-3-yl-quinaldamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)NC3CN4CCC3CC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)NC3CN4CCC3CC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H21N3O2.C4H4O4/c1-23-17-10-15(19-14-5-3-2-4-13(14)17)18(22)20-16-11-21-8-6-12(16)7-9-21;5-3(6)1-2-4(7)8/h2-5,10,12,16H,6-9,11H2,1H3,(H,20,22);1-2H,(H,5,6)(H,7,8)/b;2-1+