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

Systemtic Name: tridecyl 2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]ethanoate Openeye Name: tridecyl 2-[(2,6-difluorobenzoyl)amino]acetate CAS Name: 2-[[(2,6-difluorophenyl)-oxomethyl]amino]acetic acid tridecyl ester IUPAC Name: tridecyl 2-[(2,6-difluorobenzoyl)amino]acetate Traditional Name: 2-[(2,6-difluorobenzoyl)amino]acetic acid tridecyl ester Formula: C22H33F2NO3 MolecularWeight: 397.499126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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