(E)-but-2-enedioic acid; 3-(3-fluoranyl-4-methoxy-phenyl)-5-(1-methylpyrrolidin-2-yl)pyridine

Systemtic Name: (E)-but-2-enedioic acid; 3-(3-fluoranyl-4-methoxy-phenyl)-5-(1-methylpyrrolidin-2-yl)pyridine Openeye Name: 3-(3-fluoro-4-methoxy-phenyl)-5-(1-methylpyrrolidin-2-yl)pyridine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(3-fluoro-4-methoxyphenyl)-5-(1-methyl-2-pyrrolidinyl)pyridine IUPAC Name: (E)-but-2-enedioic acid; 3-(3-fluoro-4-methoxyphenyl)-5-(1-methylpyrrolidin-2-yl)pyridine Traditional Name: 3-(3-fluoro-4-methoxy-phenyl)-5-(1-methylpyrrolidin-2-yl)pyridine; fumaric acid Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=CC(=C2)C3=CC(=C(C=C3)OC)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCC1C2=CN=CC(=C2)C3=CC(=C(C=C3)OC)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19FN2O.C4H4O4/c1-20-7-3-4-16(20)14-8-13(10-19-11-14)12-5-6-17(21-2)15(18)9-12;5-3(6)1-2-4(7)8/h5-6,8-11,16H,3-4,7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+