(E)-but-2-enedioic acid; 6-ethyl-4-(5-fluoranyl-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine

Systemtic Name: (E)-but-2-enedioic acid; 6-ethyl-4-(5-fluoranyl-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine Openeye Name: 6-ethyl-4-(5-fluorobenzofuran-7-yl)-1,2,3,6-tetrahydropyridine; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-ethyl-4-(5-fluoro-7-benzofuranyl)-1,2,3,6-tetrahydropyridine IUPAC Name: (E)-but-2-enedioic acid; 6-ethyl-4-(5-fluoro-1-benzofuran-7-yl)-1,2,3,6-tetrahydropyridine Traditional Name: 6-ethyl-4-(5-fluorobenzofuran-7-yl)-1,2,3,6-tetrahydropyridine; fumaric acid Formula: C19H20FNO5 MolecularWeight: 361.364203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C(CCN1)C2=C3C(=CC(=C2)F)C=CO3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1C=C(CCN1)C2=C3C(=CC(=C2)F)C=CO3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H16FNO.C4H4O4/c1-2-13-8-10(3-5-17-13)14-9-12(16)7-11-4-6-18-15(11)14;5-3(6)1-2-4(7)8/h4,6-9,13,17H,2-3,5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+