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

Systemtic Name: (E)-but-2-enedioic acid; 5-chloranyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide Openeye Name: 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]benzofuran-7-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-7-benzofurancarboxamide IUPAC Name: (E)-but-2-enedioic acid; 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide Traditional Name: 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]benzofuran-7-carboxamide; fumaric acid Formula: C20H23ClN2O6 MolecularWeight: 422.85942

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=C3C(=CC(=C2)Cl)C=CO3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=C3C(=CC(=C2)Cl)C=CO3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19ClN2O2.C4H4O4/c1-2-19-6-3-4-13(19)10-18-16(20)14-9-12(17)8-11-5-7-21-15(11)14;5-3(6)1-2-4(7)8/h5,7-9,13H,2-4,6,10H2,1H3,(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1+