[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic 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-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C20H24N4O4 MolecularWeight: 384.42896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c1-2-17(28-16-7-4-3-5-8-16)19(26)27-15-18(25)23-11-13-24(14-12-23)20-21-9-6-10-22-20/h3-10,17H,2,11-15H2,1H3/t17-/m1/s1