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

Systemtic Name: (E)-but-2-enedioic acid; 2-methylpropanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate Openeye Name: fumaric acid; 2-methylpropanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate CAS Name: (E)-2-butenedioic acid; 1,2,3,6-tetrahydropyridine-4-carboxylic acid (2-methyl-1-oxopropoxy)methyl ester IUPAC Name: (E)-but-2-enedioic acid; 2-methylpropanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate Traditional Name: fumaric acid; 1,2,3,6-tetrahydropyridine-4-carboxylic acid isobutyryloxymethyl ester Formula: C15H21NO8 MolecularWeight: 343.32914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO4.C4H4O4/c1-8(2)10(13)15-7-16-11(14)9-3-5-12-6-4-9;5-3(6)1-2-4(7)8/h3,8,12H,4-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+