[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(2-tert-butylphenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(2-tert-butylphenoxy)ethanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(2-tert-butylphenoxy)acetate CAS Name: 2-(2-tert-butylphenoxy)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-(2-tert-butylphenoxy)acetate Traditional Name: 2-(2-tert-butylphenoxy)acetic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H28N4O4/c1-22(2,3)17-7-4-5-8-18(17)29-16-20(28)30-15-19(27)25-11-13-26(14-12-25)21-23-9-6-10-24-21/h4-10H,11-16H2,1-3H3