dodecyl (2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]propanoate

Systemtic Name: dodecyl (2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]propanoate Openeye Name: dodecyl (2S)-2-[(2,6-difluorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(2,6-difluorophenyl)-oxomethyl]amino]propanoic acid dodecyl ester IUPAC Name: dodecyl (2S)-2-[(2,6-difluorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(2,6-difluorobenzoyl)amino]propionic acid lauryl ester Formula: C22H33F2NO3 MolecularWeight: 397.499126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C)NC(=O)C1=C(C=CC=C1F)F

Isomeric SMILES

CCCCCCCCCCCCOC(=O)[C@H](C)NC(=O)C1=C(C=CC=C1F)F

InChI

InChI=1S/C22H33F2NO3/c1-3-4-5-6-7-8-9-10-11-12-16-28-22(27)17(2)25-21(26)20-18(23)14-13-15-19(20)24/h13-15,17H,3-12,16H2,1-2H3,(H,25,26)/t17-/m0/s1