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

Systemtic Name: tridecyl (2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]propanoate Openeye Name: tridecyl (2S)-2-[(2,6-difluorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(2,6-difluorophenyl)-oxomethyl]amino]propanoic acid tridecyl ester IUPAC Name: tridecyl (2S)-2-[(2,6-difluorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(2,6-difluorobenzoyl)amino]propionic acid tridecyl ester Formula: C23H35F2NO3 MolecularWeight: 411.525706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-29-23(28)18(2)26-22(27)21-19(24)15-14-16-20(21)25/h14-16,18H,3-13,17H2,1-2H3,(H,26,27)/t18-/m0/s1