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

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-fluoranyl-1-benzofuran-7-yl)-2,2-dimethyl-piperazine Openeye Name: 1-(5-fluorobenzofuran-7-yl)-2,2-dimethyl-piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(5-fluoro-7-benzofuranyl)-2,2-dimethylpiperazine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine Traditional Name: 1-(5-fluorobenzofuran-7-yl)-2,2-dimethyl-piperazine; fumaric acid Formula: C18H21FN2O5 MolecularWeight: 364.368143

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCCN1C2=C3C(=CC(=C2)F)C=CO3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(CNCCN1C2=C3C(=CC(=C2)F)C=CO3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H17FN2O.C4H4O4/c1-14(2)9-16-4-5-17(14)12-8-11(15)7-10-3-6-18-13(10)12;5-3(6)1-2-4(7)8/h3,6-8,16H,4-5,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+