(E)-but-2-enedioic acid; (2E)-2-butylidene-N-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine

Systemtic Name: (E)-but-2-enedioic acid; (2E)-2-butylidene-N-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine Openeye Name: (2E)-2-butylidene-N-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexanimine; fumaric acid CAS Name: (E)-2-butenedioic acid; (2E)-2-butylidene-N-[3-(4-methyl-1-piperazinyl)propoxy]-1-cyclohexanimine IUPAC Name: (E)-but-2-enedioic acid; (2E)-2-butylidene-N-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine Traditional Name: (E)-[(2E)-2-butylidenecyclohexylidene]-[3-(4-methylpiperazino)propoxy]amine; fumaric acid Formula: C26H41N3O9 MolecularWeight: 539.61844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1CCCCC1=NOCCCN2CCN(CC2)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC/C=C\1/C(=N/OCCCN2CCN(CC2)C)/CCCC1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H33N3O.2C4H4O4/c1-3-4-8-17-9-5-6-10-18(17)19-22-16-7-11-21-14-12-20(2)13-15-21;2*5-3(6)1-2-4(7)8/h8H,3-7,9-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b17-8+,19-18+;2*2-1+