(Z)-2-methylbut-2-enedioic acid; N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanamine

Systemtic Name: (Z)-2-methylbut-2-enedioic acid; N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanamine Openeye Name: (Z)-2-methylbut-2-enedioic acid; N-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]cyclohexanamine CAS Name: (Z)-2-methyl-2-butenedioic acid; N-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]cyclohexanamine IUPAC Name: (Z)-2-methylbut-2-enedioic acid; N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanamine Traditional Name: citraconic acid; cyclohexyl-[2-[4-(2-pyridyl)piperazino]ethyl]amine Formula: C27H40N4O8 MolecularWeight: 548.6285

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C(=O)O.CC(=CC(=O)O)C(=O)O.C1CCC(CC1)NCCN2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C/C(=C/C(=O)O)/C(=O)O.C/C(=C/C(=O)O)/C(=O)O.C1CCC(CC1)NCCN2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C17H28N4.2C5H6O4/c1-2-6-16(7-3-1)18-10-11-20-12-14-21(15-13-20)17-8-4-5-9-19-17;2*1-3(5(8)9)2-4(6)7/h4-5,8-9,16,18H,1-3,6-7,10-15H2;2*2H,1H3,(H,6,7)(H,8,9)/b;2*3-2-