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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-2-methyl-benzamide; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 2-methyl-N-(quinuclidin-3-ylcarbamoyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-oxomethyl]-2-methylbenzamide; (E)-2-butenedioic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-2-methylbenzamide; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 2-methyl-N-(quinuclidin-3-ylcarbamoyl)benzamide Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=O)NC2CN3CCC2CC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=O)NC2CN3CCC2CC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H21N3O2.C4H4O4/c1-11-4-2-3-5-13(11)15(20)18-16(21)17-14-10-19-8-6-12(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,12,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+