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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]acetic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-3-phenylacryloyl]amino]acetic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CNC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CNC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O4/c27-18(8-7-17-5-2-1-3-6-17)24-15-20(29)30-16-19(28)25-11-13-26(14-12-25)21-22-9-4-10-23-21/h1-10H,11-16H2,(H,24,27)/b8-7+