(E)-but-2-enedioic acid; 4-(5-fluoranyl-1-benzofuran-7-yl)-2-methyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(5-fluoranyl-1-benzofuran-7-yl)-2-methyl-piperidine Openeye Name: 4-(5-fluorobenzofuran-7-yl)-2-methyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(5-fluoro-7-benzofuranyl)-2-methylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(5-fluoro-1-benzofuran-7-yl)-2-methylpiperidine Traditional Name: 4-(5-fluorobenzofuran-7-yl)-2-methyl-piperidine; fumaric acid Formula: C18H20FNO5 MolecularWeight: 349.353503

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1)C2=C3C(=CC(=C2)F)C=CO3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1CC(CCN1)C2=C3C(=CC(=C2)F)C=CO3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H16FNO.C4H4O4/c1-9-6-10(2-4-16-9)13-8-12(15)7-11-3-5-17-14(11)13;5-3(6)1-2-4(7)8/h3,5,7-10,16H,2,4,6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+