(5-cyano-2-fluoranyl-phenyl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid (5-cyano-2-fluoro-benzyl) ester Formula: C20H18BrFN2O3 MolecularWeight: 433.270923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=CC(=C1)C#N)F)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C(C=CC(=C1)C#N)F)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H18BrFN2O3/c1-12(2)18(24-19(25)15-5-3-4-6-16(15)21)20(26)27-11-14-9-13(10-23)7-8-17(14)22/h3-9,12,18H,11H2,1-2H3,(H,24,25)/t18-/m0/s1