(E)-but-2-enedioic acid; 2,2-dimethylpropanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; 2,2-dimethylpropanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 1,2,3,6-tetrahydropyridine-4-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: (E)-but-2-enedioic acid; 2,2-dimethylpropanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate Traditional Name: fumaric acid; 1,2,3,6-tetrahydropyridine-4-carboxylic acid pivaloyloxymethyl ester Formula: C16H23NO8 MolecularWeight: 357.35572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=CCNCC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=CCNCC1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H19NO4.C4H4O4/c1-12(2,3)11(15)17-8-16-10(14)9-4-6-13-7-5-9;5-3(6)1-2-4(7)8/h4,13H,5-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+