(3-fluoranyl-4-methoxy-phenyl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H24FNO4 MolecularWeight: 373.417963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H24FNO4/c1-13(2)19(23-20(24)16-8-6-5-7-14(16)3)21(25)27-12-15-9-10-18(26-4)17(22)11-15/h5-11,13,19H,12H2,1-4H3,(H,23,24)/t19-/m0/s1