(E)-but-2-enedioic acid; 3-ethynyl-5-(pyrrolidin-1-ylmethyl)pyridine

Systemtic Name: (E)-but-2-enedioic acid; 3-ethynyl-5-(pyrrolidin-1-ylmethyl)pyridine Openeye Name: 3-ethynyl-5-(pyrrolidin-1-ylmethyl)pyridine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-ethynyl-5-(1-pyrrolidinylmethyl)pyridine IUPAC Name: (E)-but-2-enedioic acid; 3-ethynyl-5-(pyrrolidin-1-ylmethyl)pyridine Traditional Name: 3-ethynyl-5-(pyrrolidinomethyl)pyridine; fumaric acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CN=C1)CN2CCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C#CC1=CC(=CN=C1)CN2CCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H14N2.C4H4O4/c1-2-11-7-12(9-13-8-11)10-14-5-3-4-6-14;5-3(6)1-2-4(7)8/h1,7-9H,3-6,10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+