[2-acetamido-2-(acetyloxymethyl)-4-(4-octylphenyl)-4-oxidanyl-butyl] ethanoate

Systemtic Name: [2-acetamido-2-(acetyloxymethyl)-4-(4-octylphenyl)-4-oxidanyl-butyl] ethanoate Openeye Name: [2-acetamido-2-(acetoxymethyl)-4-hydroxy-4-(4-octylphenyl)butyl] acetate CAS Name: acetic acid [2-acetamido-2-(acetyloxymethyl)-4-hydroxy-4-(4-octylphenyl)butyl] ester IUPAC Name: [2-acetamido-2-(acetyloxymethyl)-4-hydroxy-4-(4-octylphenyl)butyl] acetate Traditional Name: acetic acid [2-acetamido-2-(acetoxymethyl)-4-hydroxy-4-(4-octylphenyl)butyl] ester Formula: C25H39NO6 MolecularWeight: 449.58026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO6/c1-5-6-7-8-9-10-11-22-12-14-23(15-13-22)24(30)16-25(26-19(2)27,17-31-20(3)28)18-32-21(4)29/h12-15,24,30H,5-11,16-18H2,1-4H3,(H,26,27)