(E)-but-2-enedioic acid; ethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; ethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(2-hydroxyethyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: (E)-but-2-enedioic acid; ethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate Traditional Name: fumaric acid; 4-(2-hydroxyethyl)piperazine-1-carboxylic acid ethyl ester Formula: C13H22N2O7 MolecularWeight: 318.32298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CCO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H18N2O3.C4H4O4/c1-2-14-9(13)11-5-3-10(4-6-11)7-8-12;5-3(6)1-2-4(7)8/h12H,2-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+