(E)-but-2-enedioic acid; 1-(4-methylpiperazin-1-yl)-2-oxidanyl-2-phenyl-ethanone

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-methylpiperazin-1-yl)-2-oxidanyl-2-phenyl-ethanone Openeye Name: fumaric acid; 2-hydroxy-1-(4-methylpiperazin-1-yl)-2-phenyl-ethanone CAS Name: (E)-2-butenedioic acid; 2-hydroxy-1-(4-methyl-1-piperazinyl)-2-phenylethanone IUPAC Name: (E)-but-2-enedioic acid; 2-hydroxy-1-(4-methylpiperazin-1-yl)-2-phenylethanone Traditional Name: fumaric acid; 2-hydroxy-1-(4-methylpiperazino)-2-phenyl-ethanone Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(C2=CC=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C(C2=CC=CC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H18N2O2.C4H4O4/c1-14-7-9-15(10-8-14)13(17)12(16)11-5-3-2-4-6-11;5-3(6)1-2-4(7)8/h2-6,12,16H,7-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+