(3-fluoranyl-4-methoxy-phenyl)methyl (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H24FNO5 MolecularWeight: 389.417363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=C(C=C1)OC)F)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC(=C(C=C1)OC)F)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H24FNO5/c1-14(2)20(23-19(24)13-27-16-7-5-4-6-8-16)21(25)28-12-15-9-10-18(26-3)17(22)11-15/h4-11,14,20H,12-13H2,1-3H3,(H,23,24)/t20-/m0/s1