[2-(hydroxymethyl)-3-(octadecylcarbamoyl)phenyl] ethanoate

Systemtic Name: [2-(hydroxymethyl)-3-(octadecylcarbamoyl)phenyl] ethanoate Openeye Name: [2-(hydroxymethyl)-3-(octadecylcarbamoyl)phenyl] acetate CAS Name: acetic acid [2-(hydroxymethyl)-3-[(octadecylamino)-oxomethyl]phenyl] ester IUPAC Name: [2-(hydroxymethyl)-3-(octadecylcarbamoyl)phenyl] acetate Traditional Name: acetic acid [2-methylol-3-(stearylcarbamoyl)phenyl] ester Formula: C28H47NO4 MolecularWeight: 461.67708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C(=CC=C1)OC(=O)C)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C(=CC=C1)OC(=O)C)CO

InChI

InChI=1S/C28H47NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-28(32)25-20-19-21-27(26(25)23-30)33-24(2)31/h19-21,30H,3-18,22-23H2,1-2H3,(H,29,32)