4-[[2-(1-benzofuran-2-yl)-4-fluoranyl-phenyl]methylidene]-1-methyl-piperidine; (E)-but-2-enedioic acid

Systemtic Name: 4-[[2-(1-benzofuran-2-yl)-4-fluoranyl-phenyl]methylidene]-1-methyl-piperidine; (E)-but-2-enedioic acid Openeye Name: 4-[[2-(benzofuran-2-yl)-4-fluoro-phenyl]methylene]-1-methyl-piperidine; fumaric acid CAS Name: 4-[[2-(2-benzofuranyl)-4-fluorophenyl]methylidene]-1-methylpiperidine; (E)-2-butenedioic acid IUPAC Name: 4-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methylidene]-1-methylpiperidine; (E)-but-2-enedioic acid Traditional Name: 4-[2-(benzofuran-2-yl)-4-fluoro-benzylidene]-1-methyl-piperidine; fumaric acid Formula: C25H24FNO5 MolecularWeight: 437.460163

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=CC2=C(C=C(C=C2)F)C3=CC4=CC=CC=C4O3)CC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(=CC2=C(C=C(C=C2)F)C3=CC4=CC=CC=C4O3)CC1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H20FNO.C4H4O4/c1-23-10-8-15(9-11-23)12-16-6-7-18(22)14-19(16)21-13-17-4-2-3-5-20(17)24-21;5-3(6)1-2-4(7)8/h2-7,12-14H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+