[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)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-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O4/c1-17(25-19(28)9-8-18-6-3-2-4-7-18)21(30)31-16-20(29)26-12-14-27(15-13-26)22-23-10-5-11-24-22/h2-11,17H,12-16H2,1H3,(H,25,28)/b9-8+/t17-/m0/s1