[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-phenoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-phenoxybenzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4/c28-21(26-12-14-27(15-13-26)23-24-10-5-11-25-23)17-30-22(29)18-6-4-9-20(16-18)31-19-7-2-1-3-8-19/h1-11,16H,12-15,17H2