(2-bromanyl-4-fluoranyl-phenyl)methyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (2-bromo-4-fluoro-benzyl) ester Formula: C19H18BrF2NO3 MolecularWeight: 426.251926

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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=C2F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C(C=C(C=C1)F)Br)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C19H18BrF2NO3/c1-11(2)17(23-18(24)14-5-3-4-6-16(14)22)19(25)26-10-12-7-8-13(21)9-15(12)20/h3-9,11,17H,10H2,1-2H3,(H,23,24)/t17-/m0/s1