[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H24FNO6 MolecularWeight: 417.427463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FNO6/c1-14(2)21(24-20(26)13-29-16-7-5-4-6-8-16)22(27)30-12-18(25)15-9-10-19(28-3)17(23)11-15/h4-11,14,21H,12-13H2,1-3H3,(H,24,26)/t21-/m0/s1