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

Systemtic Name: heptadecyl (2S)-2-[[3-(trifluoromethyl)phenyl]carbonylamino]propanoate Openeye Name: heptadecyl (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]propanoic acid heptadecyl ester IUPAC Name: heptadecyl (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate Traditional Name: (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propionic acid heptadecyl ester Formula: C28H44F3NO3 MolecularWeight: 499.64907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-35-27(34)23(2)32-26(33)24-19-18-20-25(22-24)28(29,30)31/h18-20,22-23H,3-17,21H2,1-2H3,(H,32,33)/t23-/m0/s1