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

Systemtic Name: pentyl (2S)-2-[[2-(trifluoromethyl)phenyl]carbonylamino]propanoate Openeye Name: pentyl (2S)-2-[[2-(trifluoromethyl)benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid pentyl ester IUPAC Name: pentyl (2S)-2-[[2-(trifluoromethyl)benzoyl]amino]propanoate Traditional Name: (2S)-2-[[2-(trifluoromethyl)benzoyl]amino]propionic acid amyl ester Formula: C16H20F3NO3 MolecularWeight: 331.33011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20F3NO3/c1-3-4-7-10-23-15(22)11(2)20-14(21)12-8-5-6-9-13(12)16(17,18)19/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,20,21)/t11-/m0/s1