(E)-4-[2-(2-dodecoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-(2-dodecoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(2-dodecoxy-2-oxo-ethyl)-3-oxo-piperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-(2-dodecoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(2-dodecoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[3-keto-2-(2-keto-2-lauryloxy-ethyl)piperazino]but-2-enoic acid Formula: C22H36N2O6 MolecularWeight: 424.53104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)/C=C/C(=O)O

InChI

InChI=1S/C22H36N2O6/c1-2-3-4-5-6-7-8-9-10-11-16-30-21(28)17-18-22(29)23-14-15-24(18)19(25)12-13-20(26)27/h12-13,18H,2-11,14-17H2,1H3,(H,23,29)(H,26,27)/b13-12+