5-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide; (E)-but-2-enedioic acid

Systemtic Name: 5-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide; (E)-but-2-enedioic acid Openeye Name: 5-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydrobenzofuran-7-carboxamide; fumaric acid CAS Name: 5-acetamido-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3-dihydrobenzofuran-7-carboxamide; (E)-2-butenedioic acid IUPAC Name: 5-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide; (E)-but-2-enedioic acid Traditional Name: 5-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]coumaran-7-carboxamide; fumaric acid Formula: C22H29N3O7 MolecularWeight: 447.48156

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CC(=CC3=C2OCC3)NC(=O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=CC(=CC3=C2OCC3)NC(=O)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H25N3O3.C4H4O4/c1-3-21-7-4-5-15(21)11-19-18(23)16-10-14(20-12(2)22)9-13-6-8-24-17(13)16;5-3(6)1-2-4(7)8/h9-10,15H,3-8,11H2,1-2H3,(H,19,23)(H,20,22);1-2H,(H,5,6)(H,7,8)/b;2-1+