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

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-methylpiperazin-1-yl)-2-(1-oxidanylcyclopentyl)-2-phenyl-ethanone Openeye Name: fumaric acid; 2-(1-hydroxycyclopentyl)-1-(4-methylpiperazin-1-yl)-2-phenyl-ethanone CAS Name: (E)-2-butenedioic acid; 2-(1-hydroxycyclopentyl)-1-(4-methyl-1-piperazinyl)-2-phenylethanone IUPAC Name: (E)-but-2-enedioic acid; 2-(1-hydroxycyclopentyl)-1-(4-methylpiperazin-1-yl)-2-phenylethanone Traditional Name: fumaric acid; 2-(1-hydroxycyclopentyl)-1-(4-methylpiperazino)-2-phenyl-ethanone Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(C2=CC=CC=C2)C3(CCCC3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C(C2=CC=CC=C2)C3(CCCC3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H26N2O2.C4H4O4/c1-19-11-13-20(14-12-19)17(21)16(15-7-3-2-4-8-15)18(22)9-5-6-10-18;5-3(6)1-2-4(7)8/h2-4,7-8,16,22H,5-6,9-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+