hexadecyl (2S)-2-[[3-(trifluoromethyl)phenyl]carbonylamino]propanoate

Systemtic Name: hexadecyl (2S)-2-[[3-(trifluoromethyl)phenyl]carbonylamino]propanoate Openeye Name: hexadecyl (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]propanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate Traditional Name: (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propionic acid cetyl ester Formula: C27H42F3NO3 MolecularWeight: 485.62249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-34-26(33)22(2)31-25(32)23-18-17-19-24(21-23)27(28,29)30/h17-19,21-22H,3-16,20H2,1-2H3,(H,31,32)/t22-/m0/s1