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

Systemtic Name: (E)-but-2-enedioic acid; N-[3-(4-methylpiperazin-1-yl)propoxy]-2-prop-2-enyl-cyclohexan-1-imine Openeye Name: 2-allyl-N-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexanimine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[3-(4-methyl-1-piperazinyl)propoxy]-2-prop-2-enyl-1-cyclohexanimine IUPAC Name: (E)-but-2-enedioic acid; N-[3-(4-methylpiperazin-1-yl)propoxy]-2-prop-2-enylcyclohexan-1-imine Traditional Name: (E)-(2-allylcyclohexylidene)-[3-(4-methylpiperazino)propoxy]amine; fumaric acid Formula: C25H39N3O9 MolecularWeight: 525.59186

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCON=C2CCCCC2CC=C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCO/N=C\2/C(CCCC2)CC=C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H31N3O.2C4H4O4/c1-3-7-16-8-4-5-9-17(16)18-21-15-6-10-20-13-11-19(2)12-14-20;2*5-3(6)1-2-4(7)8/h3,16H,1,4-15H2,2H3;2*1-2H,(H,5,6)(H,7,8)/b18-17+;2*2-1+