6-[[(E)-octadec-9-enoyl]amino]-2-[[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]methyl]hex-4-ynoate

Systemtic Name: 6-[[(E)-octadec-9-enoyl]amino]-2-[[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]methyl]hex-4-ynoate Openeye Name: 6-[[(E)-octadec-9-enoyl]amino]-2-[[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]methyl]hex-4-ynoate CAS Name: 6-[[(E)-1-oxooctadec-9-enyl]amino]-2-[[[oxo-(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methyl]amino]methyl]-4-hexynoate IUPAC Name: 6-[[(E)-octadec-9-enoyl]amino]-2-[[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]methyl]hex-4-ynoate Traditional Name: 6-[[(E)-octadec-9-enoyl]amino]-2-[[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]methyl]hex-4-ynoate Formula: C34H57N2O6- MolecularWeight: 589.82618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC#CCC(CNC(=O)C1C(COC(O1)(C)C)(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCC#CCC(CNC(=O)C1C(COC(O1)(C)C)(C)C)C(=O)[O-]

InChI

InChI=1S/C34H58N2O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(37)35-25-22-21-23-28(32(39)40)26-36-31(38)30-33(2,3)27-41-34(4,5)42-30/h13-14,28,30H,6-12,15-20,23-27H2,1-5H3,(H,35,37)(H,36,38)(H,39,40)/p-1/b14-13+