ethyl 2-[3-(hexadecanoylamino)octadecanoylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: ethyl 2-[3-(hexadecanoylamino)octadecanoylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: ethyl 2-[3-(hexadecanoylamino)octadecanoylamino]-3-(4-hydroxyphenyl)propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-3-(1-oxohexadecylamino)octadecyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(hexadecanoylamino)octadecanoylamino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 3-(4-hydroxyphenyl)-2-(3-palmitamidooctadecanoylamino)propionic acid ethyl ester Formula: C45H80N2O5 MolecularWeight: 729.1271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OCC)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OCC)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C45H80N2O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-40(46-43(49)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2)38-44(50)47-42(45(51)52-6-3)37-39-33-35-41(48)36-34-39/h33-36,40,42,48H,4-32,37-38H2,1-3H3,(H,46,49)(H,47,50)