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

Systemtic Name: heptyl (2S)-2-[[2-(trifluoromethyl)phenyl]carbonylamino]propanoate Openeye Name: heptyl (2S)-2-[[2-(trifluoromethyl)benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid heptyl ester IUPAC Name: heptyl (2S)-2-[[2-(trifluoromethyl)benzoyl]amino]propanoate Traditional Name: (2S)-2-[[2-(trifluoromethyl)benzoyl]amino]propionic acid heptyl ester Formula: C18H24F3NO3 MolecularWeight: 359.38327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24F3NO3/c1-3-4-5-6-9-12-25-17(24)13(2)22-16(23)14-10-7-8-11-15(14)18(19,20)21/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,22,23)/t13-/m0/s1