4-acetamido-N-(9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxy-benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-acetamido-N-(9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxy-benzamide; (E)-but-2-enedioic acid Openeye Name: 4-acetamido-N-(9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxy-benzamide; fumaric acid CAS Name: 4-acetamido-N-(9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxybenzamide; (E)-2-butenedioic acid IUPAC Name: 4-acetamido-N-(9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxybenzamide; (E)-but-2-enedioic acid Traditional Name: 4-acetamido-N-(9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxy-benzamide; fumaric acid Formula: C22H29N3O7 MolecularWeight: 447.48156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)NC2CC3CCCC(C2)N3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)NC2CC3CCCC(C2)N3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H25N3O3.C4H4O4/c1-11(22)19-14-6-7-16(17(10-14)24-2)18(23)21-15-8-12-4-3-5-13(9-15)20-12;5-3(6)1-2-4(7)8/h6-7,10,12-13,15,20H,3-5,8-9H2,1-2H3,(H,19,22)(H,21,23);1-2H,(H,5,6)(H,7,8)/b;2-1+