[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic 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-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4/c1-15(23-18(27)16-6-3-2-4-7-16)19(28)29-14-17(26)24-10-12-25(13-11-24)20-21-8-5-9-22-20/h2-9,15H,10-14H2,1H3,(H,23,27)/t15-/m0/s1