(2-bromanyl-4-fluoranyl-phenyl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid (2-bromo-4-fluoro-benzyl) ester Formula: C20H21BrFNO3 MolecularWeight: 422.288043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=C(C=C1)F)Br)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C(C=C(C=C1)F)Br)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H21BrFNO3/c1-13(2)19(23-18(24)10-14-6-4-3-5-7-14)20(25)26-12-15-8-9-16(22)11-17(15)21/h3-9,11,13,19H,10,12H2,1-2H3,(H,23,24)/t19-/m0/s1