(E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-2-yl)-5-(2-phenylethynyl)pyridine

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-2-yl)-5-(2-phenylethynyl)pyridine Openeye Name: fumaric acid; 3-(1-methylpyrrolidin-2-yl)-5-(2-phenylethynyl)pyridine CAS Name: (E)-2-butenedioic acid; 3-(1-methyl-2-pyrrolidinyl)-5-(2-phenylethynyl)pyridine IUPAC Name: (E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-2-yl)-5-(2-phenylethynyl)pyridine Traditional Name: fumaric acid; 3-(1-methylpyrrolidin-2-yl)-5-(2-phenylethynyl)pyridine Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=CC(=C2)C#CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCC1C2=CN=CC(=C2)C#CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H18N2.C4H4O4/c1-20-11-5-8-18(20)17-12-16(13-19-14-17)10-9-15-6-3-2-4-7-15;5-3(6)1-2-4(7)8/h2-4,6-7,12-14,18H,5,8,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+