[(E)-2-acetamido-2-(acetyloxymethyl)-5,9,13-trimethyl-pentadec-12-enyl] ethanoate

Systemtic Name: [(E)-2-acetamido-2-(acetyloxymethyl)-5,9,13-trimethyl-pentadec-12-enyl] ethanoate Openeye Name: [(E)-2-acetamido-2-(acetoxymethyl)-5,9,13-trimethyl-pentadec-12-enyl] acetate CAS Name: acetic acid [(E)-2-acetamido-2-(acetyloxymethyl)-5,9,13-trimethylpentadec-12-enyl] ester IUPAC Name: [(E)-2-acetamido-2-(acetyloxymethyl)-5,9,13-trimethylpentadec-12-enyl] acetate Traditional Name: acetic acid [(E)-2-acetamido-2-(acetoxymethyl)-5,9,13-trimethyl-pentadec-12-enyl] ester Formula: C25H45NO5 MolecularWeight: 439.6285

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCCC(C)CCCC(C)CCC(COC(=O)C)(COC(=O)C)NC(=O)C)C

Isomeric SMILES

CC/C(=C/CCC(C)CCCC(C)CCC(COC(=O)C)(COC(=O)C)NC(=O)C)/C

InChI

InChI=1S/C25H45NO5/c1-8-19(2)11-9-12-20(3)13-10-14-21(4)15-16-25(26-22(5)27,17-30-23(6)28)18-31-24(7)29/h11,20-21H,8-10,12-18H2,1-7H3,(H,26,27)/b19-11+