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

Systemtic Name: pentadecyl (2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]propanoate Openeye Name: pentadecyl (2S)-2-[(2,6-difluorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(2,6-difluorophenyl)-oxomethyl]amino]propanoic acid pentadecyl ester IUPAC Name: pentadecyl (2S)-2-[(2,6-difluorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(2,6-difluorobenzoyl)amino]propionic acid pentadecyl ester Formula: C25H39F2NO3 MolecularWeight: 439.578866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-31-25(30)20(2)28-24(29)23-21(26)17-16-18-22(23)27/h16-18,20H,3-15,19H2,1-2H3,(H,28,29)/t20-/m0/s1