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

Systemtic Name: (E)-but-2-enedioic acid; N-[3-(4-methylpiperazin-1-yl)propoxy]cyclododecanimine Openeye Name: fumaric acid; N-[3-(4-methylpiperazin-1-yl)propoxy]cyclododecanimine CAS Name: (E)-2-butenedioic acid; N-[3-(4-methyl-1-piperazinyl)propoxy]cyclododecanimine IUPAC Name: (E)-but-2-enedioic acid; N-[3-(4-methylpiperazin-1-yl)propoxy]cyclododecanimine Traditional Name: cyclododecylidene-[3-(4-methylpiperazino)propoxy]amine; fumaric acid Formula: C28H47N3O9 MolecularWeight: 569.68748

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCON=C2CCCCCCCCCCC2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCON=C2CCCCCCCCCCC2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H39N3O.2C4H4O4/c1-22-15-17-23(18-16-22)14-11-19-24-21-20-12-9-7-5-3-2-4-6-8-10-13-20;2*5-3(6)1-2-4(7)8/h2-19H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+