(E)-but-2-enedioic acid; 3-(4-fluorophenyl)-5-piperidin-2-yl-pyridine

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-fluorophenyl)-5-piperidin-2-yl-pyridine Openeye Name: 3-(4-fluorophenyl)-5-(2-piperidyl)pyridine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(4-fluorophenyl)-5-(2-piperidinyl)pyridine IUPAC Name: (E)-but-2-enedioic acid; 3-(4-fluorophenyl)-5-piperidin-2-ylpyridine Traditional Name: 3-(4-fluorophenyl)-5-(2-piperidyl)pyridine; fumaric acid Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C2=CN=CC(=C2)C3=CC=C(C=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCNC(C1)C2=CN=CC(=C2)C3=CC=C(C=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17FN2.C4H4O4/c17-15-6-4-12(5-7-15)13-9-14(11-18-10-13)16-3-1-2-8-19-16;5-3(6)1-2-4(7)8/h4-7,9-11,16,19H,1-3,8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+