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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)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-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-15(29-17-5-3-16(13-21)4-6-17)19(27)28-14-18(26)24-9-11-25(12-10-24)20-22-7-2-8-23-20/h2-8,15H,9-12,14H2,1H3/t15-/m1/s1