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

Systemtic Name: (E)-but-2-enedioic acid; phenylcarbonyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate Openeye Name: benzoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 1,2,3,6-tetrahydropyridine-4-carboxylic acid benzoyloxymethyl ester IUPAC Name: benzoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 1,2,3,6-tetrahydropyridine-4-carboxylic acid benzoyloxymethyl ester Formula: C18H19NO8 MolecularWeight: 377.34536

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC=C1C(=O)OCOC(=O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCC=C1C(=O)OCOC(=O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H15NO4.C4H4O4/c16-13(11-4-2-1-3-5-11)18-10-19-14(17)12-6-8-15-9-7-12;5-3(6)1-2-4(7)8/h1-6,15H,7-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+