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

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid (5-cyano-2-fluoro-benzyl) ester Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C21H21FN2O3/c1-13(2)19(24-20(25)16-6-4-5-14(3)9-16)21(26)27-12-17-10-15(11-23)7-8-18(17)22/h4-10,13,19H,12H2,1-3H3,(H,24,25)/t19-/m0/s1