1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate; (E)-but-2-enedioic acid

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate; (E)-but-2-enedioic acid Openeye Name: fumaric acid; quinuclidin-3-yl 4-methoxyquinoline-2-carboxylate CAS Name: (E)-2-butenedioic acid; 4-methoxy-2-quinolinecarboxylic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 4-methoxyquinaldic acid quinuclidin-3-yl ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)OC3CN4CCC3CC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)OC3CN4CCC3CC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20N2O3.C4H4O4/c1-22-16-10-15(19-14-5-3-2-4-13(14)16)18(21)23-17-11-20-8-6-12(17)7-9-20;5-3(6)1-2-4(7)8/h2-5,10,12,17H,6-9,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+