(2-chloranyl-6-fluoranyl-phenyl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H21ClFNO3 MolecularWeight: 377.837043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C20H21ClFNO3/c1-12(2)18(23-19(24)14-8-5-4-7-13(14)3)20(25)26-11-15-16(21)9-6-10-17(15)22/h4-10,12,18H,11H2,1-3H3,(H,23,24)/t18-/m0/s1