[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H24FNO5 MolecularWeight: 401.428063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=C(C=CC(=C1)F)OC)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=C(C=CC(=C1)F)OC)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H24FNO5/c1-14(2)21(24-20(26)11-15-7-5-4-6-8-15)22(27)29-13-18(25)17-12-16(23)9-10-19(17)28-3/h4-10,12,14,21H,11,13H2,1-3H3,(H,24,26)/t21-/m0/s1