hexadecyl 2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: hexadecyl 2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: hexadecyl 2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: 3-(4-hydroxyphenyl)-2-(1-oxohexadecylamino)propanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: 3-(4-hydroxyphenyl)-2-palmitamido-propionic acid cetyl ester Formula: C41H73NO4 MolecularWeight: 644.02262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C41H73NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-46-41(45)39(36-37-31-33-38(43)34-32-37)42-40(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,39,43H,3-30,35-36H2,1-2H3,(H,42,44)