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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2R)-2-(4-tert-butylphenoxy)propanoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate Traditional Name: (2R)-2-(4-tert-butylphenoxy)propionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H30N4O4/c1-17(31-19-8-6-18(7-9-19)23(2,3)4)21(29)30-16-20(28)26-12-14-27(15-13-26)22-24-10-5-11-25-22/h5-11,17H,12-16H2,1-4H3/t17-/m1/s1