[2-acetamido-2-(acetyloxymethyl)-6-(4-octylphenyl)hexyl] ethanoate

Systemtic Name: [2-acetamido-2-(acetyloxymethyl)-6-(4-octylphenyl)hexyl] ethanoate Openeye Name: [2-acetamido-2-(acetoxymethyl)-6-(4-octylphenyl)hexyl] acetate CAS Name: acetic acid [2-acetamido-2-(acetyloxymethyl)-6-(4-octylphenyl)hexyl] ester IUPAC Name: [2-acetamido-2-(acetyloxymethyl)-6-(4-octylphenyl)hexyl] acetate Traditional Name: acetic acid [2-acetamido-2-(acetoxymethyl)-6-(4-octylphenyl)hexyl] ester Formula: C27H43NO5 MolecularWeight: 461.63402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCCCC(COC(=O)C)(COC(=O)C)NC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCCCC(COC(=O)C)(COC(=O)C)NC(=O)C

InChI

InChI=1S/C27H43NO5/c1-5-6-7-8-9-10-13-25-15-17-26(18-16-25)14-11-12-19-27(28-22(2)29,20-32-23(3)30)21-33-24(4)31/h15-18H,5-14,19-21H2,1-4H3,(H,28,29)