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

Systemtic Name: hexadecyl (2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]propanoate Openeye Name: hexadecyl (2S)-2-[(2,6-difluorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(2,6-difluorophenyl)-oxomethyl]amino]propanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-2-[(2,6-difluorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(2,6-difluorobenzoyl)amino]propionic acid cetyl ester Formula: C26H41F2NO3 MolecularWeight: 453.605446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)[C@H](C)NC(=O)C1=C(C=CC=C1F)F

InChI

InChI=1S/C26H41F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32-26(31)21(2)29-25(30)24-22(27)18-17-19-23(24)28/h17-19,21H,3-16,20H2,1-2H3,(H,29,30)/t21-/m0/s1