[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(C=C1)Br)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO4/c1-14(22-19(24)12-7-15-5-3-2-4-6-15)20(25)26-13-18(23)16-8-10-17(21)11-9-16/h2-12,14H,13H2,1H3,(H,22,24)/b12-7+/t14-/m0/s1