(E)-but-2-enedioic acid; [2-(4-methylpiperazin-1-yl)-2-oxidanylidene-1-phenyl-ethyl] ethanoate

Systemtic Name: (E)-but-2-enedioic acid; [2-(4-methylpiperazin-1-yl)-2-oxidanylidene-1-phenyl-ethyl] ethanoate Openeye Name: fumaric acid; [2-(4-methylpiperazin-1-yl)-2-oxo-1-phenyl-ethyl] acetate CAS Name: acetic acid [2-(4-methyl-1-piperazinyl)-2-oxo-1-phenylethyl] ester; (E)-2-butenedioic acid IUPAC Name: (E)-but-2-enedioic acid; [2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl] acetate Traditional Name: acetic acid [2-keto-2-(4-methylpiperazino)-1-phenyl-ethyl] ester; fumaric acid Formula: C19H24N2O7 MolecularWeight: 392.40306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H20N2O3.C4H4O4/c1-12(18)20-14(13-6-4-3-5-7-13)15(19)17-10-8-16(2)9-11-17;5-3(6)1-2-4(7)8/h3-7,14H,8-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+