(4-bromanyl-2-fluoranyl-phenyl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid (4-bromo-2-fluoro-benzyl) ester Formula: C18H17BrFNO3 MolecularWeight: 394.234883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C18H17BrFNO3/c1-11-4-3-5-13(8-11)17(22)21-12(2)18(23)24-10-14-6-7-15(19)9-16(14)20/h3-9,12H,10H2,1-2H3,(H,21,22)/t12-/m0/s1