[2-[bis(fluoranyl)methoxy]phenyl]methyl (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[bis(fluoranyl)methoxy]phenyl]methyl (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(difluoromethoxy)phenyl]methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [2-(difluoromethoxy)phenyl]methyl ester IUPAC Name: [2-(difluoromethoxy)phenyl]methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(p-toluoylamino)butyric acid [2-(difluoromethoxy)benzyl] ester Formula: C21H23F2NO4 MolecularWeight: 391.408426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=CC=C2OC(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC=CC=C2OC(F)F

InChI

InChI=1S/C21H23F2NO4/c1-13(2)18(24-19(25)15-10-8-14(3)9-11-15)20(26)27-12-16-6-4-5-7-17(16)28-21(22)23/h4-11,13,18,21H,12H2,1-3H3,(H,24,25)/t18-/m0/s1