N-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-2-methoxy-benzamide; (E)-but-2-enedioic acid

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-2-methoxy-benzamide; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 2-methoxy-N-(quinuclidin-3-ylcarbamoyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-oxomethyl]-2-methoxybenzamide; (E)-2-butenedioic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-2-methoxybenzamide; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 2-methoxy-N-(quinuclidin-3-ylcarbamoyl)benzamide Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=O)NC2CN3CCC2CC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=O)NC2CN3CCC2CC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H21N3O3.C4H4O4/c1-22-14-5-3-2-4-12(14)15(20)18-16(21)17-13-10-19-8-6-11(13)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,13H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+