(E)-but-2-enedioic acid; 1-hexyl-3-(3-morpholin-4-yl-2-oxidanyl-propoxy)urea

Systemtic Name: (E)-but-2-enedioic acid; 1-hexyl-3-(3-morpholin-4-yl-2-oxidanyl-propoxy)urea Openeye Name: fumaric acid; 1-hexyl-3-(2-hydroxy-3-morpholino-propoxy)urea CAS Name: (E)-2-butenedioic acid; 1-hexyl-3-[2-hydroxy-3-(4-morpholinyl)propoxy]urea IUPAC Name: (E)-but-2-enedioic acid; 1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea Traditional Name: fumaric acid; 1-hexyl-3-(2-hydroxy-3-morpholino-propoxy)urea Formula: C18H33N3O8 MolecularWeight: 419.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NOCC(CN1CCOCC1)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCNC(=O)NOCC(CN1CCOCC1)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H29N3O4.C4H4O4/c1-2-3-4-5-6-15-14(19)16-21-12-13(18)11-17-7-9-20-10-8-17;5-3(6)1-2-4(7)8/h13,18H,2-12H2,1H3,(H2,15,16,19);1-2H,(H,5,6)(H,7,8)/b;2-1+