[2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]cyclohexyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoate

Systemtic Name: [2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]cyclohexyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoate Openeye Name: [2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]cyclohexyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoate CAS Name: 3-[[oxo-(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methyl]amino]propanoic acid [2-[[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino]cyclohexyl] ester IUPAC Name: [2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]cyclohexyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoate Traditional Name: 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propionic acid [2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]cyclohexyl] ester Formula: C36H62N2O6 MolecularWeight: 618.88728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NC1CCCCC1OC(=O)CCNC(=O)C2C(COC(O2)(C)C)(C)C

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)NC1CCCCC1OC(=O)CCNC(=O)C2C(COC(O2)(C)C)(C)C

InChI

InChI=1S/C36H62N2O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31(39)38-29-23-21-22-24-30(29)43-32(40)26-27-37-34(41)33-35(2,3)28-42-36(4,5)44-33/h10-11,13-14,29-30,33H,6-9,12,15-28H2,1-5H3,(H,37,41)(H,38,39)/b11-10+,14-13+