(E)-but-2-enedioic acid; 4-(4-fluoranylphenoxy)-1-methyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-fluoranylphenoxy)-1-methyl-piperidine Openeye Name: 4-(4-fluorophenoxy)-1-methyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(4-fluorophenoxy)-1-methylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(4-fluorophenoxy)-1-methylpiperidine Traditional Name: 4-(4-fluorophenoxy)-1-methyl-piperidine; fumaric acid Formula: C16H20FNO5 MolecularWeight: 325.332103

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC2=CC=C(C=C2)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)OC2=CC=C(C=C2)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16FNO.C4H4O4/c1-14-8-6-12(7-9-14)15-11-4-2-10(13)3-5-11;5-3(6)1-2-4(7)8/h2-5,12H,6-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+