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

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl (2S)-2-benzamido-3-methyl-butanoate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid (2-bromo-4-fluoro-benzyl) ester Formula: C19H19BrFNO3 MolecularWeight: 408.261463

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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)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrFNO3/c1-12(2)17(22-18(23)13-6-4-3-5-7-13)19(24)25-11-14-8-9-15(21)10-16(14)20/h3-10,12,17H,11H2,1-2H3,(H,22,23)/t17-/m0/s1