(E)-but-2-enedioic acid; 4-chloranyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 4-chloranyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydrobenzofuran-7-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methyl-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: (E)-but-2-enedioic acid; 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-coumaran-7-carboxamide; fumaric acid Formula: C21H27ClN2O6 MolecularWeight: 438.90188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=C3C(=C(C=C2)Cl)CC(O3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=C3C(=C(C=C2)Cl)CC(O3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23ClN2O2.C4H4O4/c1-3-20-8-4-5-12(20)10-19-17(21)13-6-7-15(18)14-9-11(2)22-16(13)14;5-3(6)1-2-4(7)8/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1+