(E)-but-2-enedioic acid; 4-(5-fluoranyl-1-benzofuran-7-yl)-3,3-dimethyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(5-fluoranyl-1-benzofuran-7-yl)-3,3-dimethyl-piperidine Openeye Name: 4-(5-fluorobenzofuran-7-yl)-3,3-dimethyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(5-fluoro-7-benzofuranyl)-3,3-dimethylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine Traditional Name: 4-(5-fluorobenzofuran-7-yl)-3,3-dimethyl-piperidine; fumaric acid Formula: C19H22FNO5 MolecularWeight: 363.380083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCCC1C2=C3C(=CC(=C2)F)C=CO3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(CNCCC1C2=C3C(=CC(=C2)F)C=CO3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H18FNO.C4H4O4/c1-15(2)9-17-5-3-13(15)12-8-11(16)7-10-4-6-18-14(10)12;5-3(6)1-2-4(7)8/h4,6-8,13,17H,3,5,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+