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

Systemtic Name: octadecyl (2S)-2-[[3-(trifluoromethyl)phenyl]carbonylamino]propanoate Openeye Name: octadecyl (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]propanoic acid octadecyl ester IUPAC Name: octadecyl (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate Traditional Name: (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propionic acid stearyl ester Formula: C29H46F3NO3 MolecularWeight: 513.67565

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-36-28(35)24(2)33-27(34)25-20-19-21-26(23-25)29(30,31)32/h19-21,23-24H,3-18,22H2,1-2H3,(H,33,34)/t24-/m0/s1