[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-16(27)24-18(17-6-3-2-4-7-17)14-20(29)30-15-19(28)25-10-12-26(13-11-25)21-22-8-5-9-23-21/h2-9,18H,10-15H2,1H3,(H,24,27)/t18-/m1/s1