(4-bromanyl-2-fluoranyl-phenyl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid (4-bromo-2-fluoro-benzyl) ester Formula: C19H17BrFNO3 MolecularWeight: 406.245583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrFNO3/c1-13(22-18(23)10-7-14-5-3-2-4-6-14)19(24)25-12-15-8-9-16(20)11-17(15)21/h2-11,13H,12H2,1H3,(H,22,23)/b10-7+/t13-/m0/s1