(E)-but-2-enedioic acid; 4-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-propoxy-1,3-oxazole

Systemtic Name: (E)-but-2-enedioic acid; 4-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-propoxy-1,3-oxazole Openeye Name: fumaric acid; 4-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-propoxy-oxazole CAS Name: (E)-2-butenedioic acid; 4-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-propoxyoxazole IUPAC Name: (E)-but-2-enedioic acid; 4-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-propoxy-1,3-oxazole Traditional Name: fumaric acid; 4-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-propoxy-oxazole Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(N=C(O1)C2=CCCN(C2)C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCOC1=C(N=C(O1)C2=CCCN(C2)C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H20N2O2.C4H4O4/c1-4-8-16-13-10(2)14-12(17-13)11-6-5-7-15(3)9-11;5-3(6)1-2-4(7)8/h6H,4-5,7-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+