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

Systemtic Name: tridecyl (2S)-2-[[3-(trifluoromethyl)phenyl]carbonylamino]propanoate Openeye Name: tridecyl (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]propanoic acid tridecyl ester IUPAC Name: tridecyl (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate Traditional Name: (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propionic acid tridecyl ester Formula: C24H36F3NO3 MolecularWeight: 443.54275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-31-23(30)19(2)28-22(29)20-15-14-16-21(18-20)24(25,26)27/h14-16,18-19H,3-13,17H2,1-2H3,(H,28,29)/t19-/m0/s1