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

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid (5-cyano-2-fluoro-benzyl) ester Formula: C22H23FN2O4 MolecularWeight: 398.427423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C22H23FN2O4/c1-4-28-19-8-6-5-7-17(19)21(26)25-20(14(2)3)22(27)29-13-16-11-15(12-24)9-10-18(16)23/h5-11,14,20H,4,13H2,1-3H3,(H,25,26)/t20-/m0/s1