[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C26H27N5O4 MolecularWeight: 473.52368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O4/c32-23(30-14-16-31(17-15-30)26-27-12-7-13-28-26)19-35-25(34)22(18-20-8-3-1-4-9-20)29-24(33)21-10-5-2-6-11-21/h1-13,22H,14-19H2,(H,29,33)