(E)-but-2-enedioic acid; (1-methylpiperidin-4-yl) furan-2-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; (1-methylpiperidin-4-yl) furan-2-carboxylate Openeye Name: fumaric acid; (1-methyl-4-piperidyl) furan-2-carboxylate CAS Name: (E)-2-butenedioic acid; 2-furancarboxylic acid (1-methyl-4-piperidinyl) ester IUPAC Name: (E)-but-2-enedioic acid; (1-methylpiperidin-4-yl) furan-2-carboxylate Traditional Name: fumaric acid; furan-2-carboxylic acid (1-methyl-4-piperidyl) ester Formula: C15H19NO7 MolecularWeight: 325.31386

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC(=O)C2=CC=CO2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)OC(=O)C2=CC=CO2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H15NO3.C4H4O4/c1-12-6-4-9(5-7-12)15-11(13)10-3-2-8-14-10;5-3(6)1-2-4(7)8/h2-3,8-9H,4-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+