(2S)-2-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(3,5-difluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3,5-difluorophenyl)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(3,5-difluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(3,5-difluorobenzoyl)amino]-3-methyl-butyrate Formula: C12H12F2NO3- MolecularWeight: 256.225386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC(=CC(=C1)F)F

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO3/c1-6(2)10(12(17)18)15-11(16)7-3-8(13)5-9(14)4-7/h3-6,10H,1-2H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1