(E)-but-2-enedioic acid; 1-(5-methoxypyridin-3-yl)-1,5-diazocane

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-methoxypyridin-3-yl)-1,5-diazocane Openeye Name: fumaric acid; 1-(5-methoxy-3-pyridyl)-1,5-diazocane CAS Name: (E)-2-butenedioic acid; 1-(5-methoxy-3-pyridinyl)-1,5-diazocane IUPAC Name: (E)-but-2-enedioic acid; 1-(5-methoxypyridin-3-yl)-1,5-diazocane Traditional Name: fumaric acid; 1-(5-methoxy-3-pyridyl)-1,5-diazocane Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CC(=C1)N2CCCNCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CN=CC(=C1)N2CCCNCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H19N3O.C4H4O4/c1-16-12-8-11(9-14-10-12)15-6-2-4-13-5-3-7-15;5-3(6)1-2-4(7)8/h8-10,13H,2-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+