[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C20H23ClN4O4 MolecularWeight: 418.87402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN4O4/c1-20(2,29-16-6-4-15(21)5-7-16)18(27)28-14-17(26)24-10-12-25(13-11-24)19-22-8-3-9-23-19/h3-9H,10-14H2,1-2H3