hexyl (2S)-2-[[2-(trifluoromethyl)phenyl]carbonylamino]propanoate

Systemtic Name: hexyl (2S)-2-[[2-(trifluoromethyl)phenyl]carbonylamino]propanoate Openeye Name: hexyl (2S)-2-[[2-(trifluoromethyl)benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid hexyl ester IUPAC Name: hexyl (2S)-2-[[2-(trifluoromethyl)benzoyl]amino]propanoate Traditional Name: (2S)-2-[[2-(trifluoromethyl)benzoyl]amino]propionic acid hexyl ester Formula: C17H22F3NO3 MolecularWeight: 345.35669

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C)NC(=O)C1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CCCCCCOC(=O)[C@H](C)NC(=O)C1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C17H22F3NO3/c1-3-4-5-8-11-24-16(23)12(2)21-15(22)13-9-6-7-10-14(13)17(18,19)20/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,21,22)/t12-/m0/s1