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

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-butoxypyridin-3-yl)-1,5-diazocane Openeye Name: 1-(5-butoxy-3-pyridyl)-1,5-diazocane; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(5-butoxy-3-pyridinyl)-1,5-diazocane IUPAC Name: (E)-but-2-enedioic acid; 1-(5-butoxypyridin-3-yl)-1,5-diazocane Traditional Name: 1-(5-butoxy-3-pyridyl)-1,5-diazocane; fumaric acid Formula: C19H29N3O5 MolecularWeight: 379.45066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=CC(=C1)N2CCCNCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCOC1=CN=CC(=C1)N2CCCNCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H25N3O.C4H4O4/c1-2-3-10-19-15-11-14(12-17-13-15)18-8-4-6-16-7-5-9-18;5-3(6)1-2-4(7)8/h11-13,16H,2-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+