ethyl 2-[4-(hexadecanoylamino)phenyl]propanoate

Systemtic Name: ethyl 2-[4-(hexadecanoylamino)phenyl]propanoate Openeye Name: ethyl 2-[4-(hexadecanoylamino)phenyl]propanoate CAS Name: 2-[4-(1-oxohexadecylamino)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(hexadecanoylamino)phenyl]propanoate Traditional Name: 2-(4-palmitamidophenyl)propionic acid ethyl ester Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(C)C(=O)OCC

InChI

InChI=1S/C27H45NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)28-25-21-19-24(20-22-25)23(3)27(30)31-5-2/h19-23H,4-18H2,1-3H3,(H,28,29)