4-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methoxy-benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methoxy-benzamide; (E)-but-2-enedioic acid Openeye Name: 4-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methoxy-benzamide; fumaric acid CAS Name: 4-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide; (E)-2-butenedioic acid IUPAC Name: 4-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide; (E)-but-2-enedioic acid Traditional Name: 4-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methoxy-benzamide; fumaric acid Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)NC2CC3CCC(C2)N3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)NC2CC3CCC(C2)N3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23N3O3.C4H4O4/c1-10(21)18-13-5-6-15(16(9-13)23-2)17(22)20-14-7-11-3-4-12(8-14)19-11;5-3(6)1-2-4(7)8/h5-6,9,11-12,14,19H,3-4,7-8H2,1-2H3,(H,18,21)(H,20,22);1-2H,(H,5,6)(H,7,8)/b;2-1+