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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(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:

C1=CC=C(C=C1)C=CC(=O)NCCC(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NCCC(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H18BrNO4/c21-17-9-7-16(8-10-17)18(23)14-26-20(25)12-13-22-19(24)11-6-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,24)/b11-6+