[(2S,3R,4E,8E,10E)-2-acetamido-3-acetyloxy-9-methyl-octadeca-4,8,10-trienyl] ethanoate

Systemtic Name: [(2S,3R,4E,8E,10E)-2-acetamido-3-acetyloxy-9-methyl-octadeca-4,8,10-trienyl] ethanoate Openeye Name: [(2S,3R,4E,8E,10E)-2-acetamido-3-acetoxy-9-methyl-octadeca-4,8,10-trienyl] acetate CAS Name: acetic acid [(2S,3R,4E,8E,10E)-2-acetamido-3-acetyloxy-9-methyloctadeca-4,8,10-trienyl] ester IUPAC Name: [(2S,3R,4E,8E,10E)-2-acetamido-3-acetyloxy-9-methyloctadeca-4,8,10-trienyl] acetate Traditional Name: acetic acid [(2S,3R,4E,8E,10E)-2-acetamido-3-acetoxy-9-methyl-octadeca-4,8,10-trienyl] ester Formula: C25H41NO5 MolecularWeight: 435.59674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CC(=CCCC=CC(C(COC(=O)C)NC(=O)C)OC(=O)C)C

Isomeric SMILES

CCCCCCC/C=C/C(=C/CC/C=C/[C@H]([C@H](COC(=O)C)NC(=O)C)OC(=O)C)/C

InChI

InChI=1S/C25H41NO5/c1-6-7-8-9-10-11-13-16-20(2)17-14-12-15-18-25(31-23(5)29)24(26-21(3)27)19-30-22(4)28/h13,15-18,24-25H,6-12,14,19H2,1-5H3,(H,26,27)/b16-13+,18-15+,20-17+/t24-,25+/m0/s1