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

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(4-acetamidophenyl)-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-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-15(23-21(27)13-8-17-6-4-3-5-7-17)22(28)29-14-20(26)18-9-11-19(12-10-18)24-16(2)25/h3-13,15H,14H2,1-2H3,(H,23,27)(H,24,25)/b13-8+/t15-/m0/s1