hexadecyl 2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]ethanoate

Systemtic Name: hexadecyl 2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]ethanoate Openeye Name: hexadecyl 2-[(2,6-difluorobenzoyl)amino]acetate CAS Name: 2-[[(2,6-difluorophenyl)-oxomethyl]amino]acetic acid hexadecyl ester IUPAC Name: hexadecyl 2-[(2,6-difluorobenzoyl)amino]acetate Traditional Name: 2-[(2,6-difluorobenzoyl)amino]acetic acid cetyl ester Formula: C25H39F2NO3 MolecularWeight: 439.578866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CNC(=O)C1=C(C=CC=C1F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CNC(=O)C1=C(C=CC=C1F)F

InChI

InChI=1S/C25H39F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-31-23(29)20-28-25(30)24-21(26)17-16-18-22(24)27/h16-18H,2-15,19-20H2,1H3,(H,28,30)