(2-chloranyl-6-fluoranyl-phenyl)methyl (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H21ClFNO4 MolecularWeight: 393.836443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=CC=C1Cl)F)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C(C=CC=C1Cl)F)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H21ClFNO4/c1-13(2)19(23-18(24)12-26-14-7-4-3-5-8-14)20(25)27-11-15-16(21)9-6-10-17(15)22/h3-10,13,19H,11-12H2,1-2H3,(H,23,24)/t19-/m0/s1