[(E)-4-[[(E)-octadec-9-enoyl]amino]but-1-enyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoate

Systemtic Name: [(E)-4-[[(E)-octadec-9-enoyl]amino]but-1-enyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoate Openeye Name: [(E)-4-[[(E)-octadec-9-enoyl]amino]but-1-enyl] 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 [(E)-4-[[(E)-1-oxooctadec-9-enyl]amino]but-1-enyl] ester IUPAC Name: [(E)-4-[[(E)-octadec-9-enoyl]amino]but-1-enyl] 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 [(E)-4-[[(E)-octadec-9-enoyl]amino]but-1-enyl] ester Formula: C34H60N2O6 MolecularWeight: 592.85

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCC=COC(=O)CCNC(=O)C1C(COC(O1)(C)C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCC/C=C/OC(=O)CCNC(=O)C1C(COC(O1)(C)C)(C)C

InChI

InChI=1S/C34H60N2O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29(37)35-25-21-22-27-40-30(38)24-26-36-32(39)31-33(2,3)28-41-34(4,5)42-31/h13-14,22,27,31H,6-12,15-21,23-26,28H2,1-5H3,(H,35,37)(H,36,39)/b14-13+,27-22+