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

Systemtic Name: (E)-but-2-enedioic acid; pentanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate Openeye Name: fumaric acid; pentanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate CAS Name: (E)-2-butenedioic acid; 1,2,3,6-tetrahydropyridine-4-carboxylic acid 1-oxopentoxymethyl ester IUPAC Name: (E)-but-2-enedioic acid; pentanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate Traditional Name: fumaric acid; 1,2,3,6-tetrahydropyridine-4-carboxylic acid valeryloxymethyl ester Formula: C16H23NO8 MolecularWeight: 357.35572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4.C4H4O4/c1-2-3-4-11(14)16-9-17-12(15)10-5-7-13-8-6-10;5-3(6)1-2-4(7)8/h5,13H,2-4,6-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+