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

Systemtic Name: 4-azanyl-5-chloranyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide; (E)-but-2-enedioic acid Openeye Name: 4-amino-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydrobenzofuran-7-carboxamide; fumaric acid CAS Name: 4-amino-5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3-dihydrobenzofuran-7-carboxamide; (E)-2-butenedioic acid IUPAC Name: 4-amino-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide; (E)-but-2-enedioic acid Traditional Name: 4-amino-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]coumaran-7-carboxamide; fumaric acid Formula: C20H26ClN3O6 MolecularWeight: 439.88994

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CC(=C(C3=C2OCC3)N)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=CC(=C(C3=C2OCC3)N)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H22ClN3O2.C4H4O4/c1-2-20-6-3-4-10(20)9-19-16(21)12-8-13(17)14(18)11-5-7-22-15(11)12;5-3(6)1-2-4(7)8/h8,10H,2-7,9,18H2,1H3,(H,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1+