phenylmethoxycarbonylamino 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate

Systemtic Name: phenylmethoxycarbonylamino 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate Openeye Name: benzyloxycarbonylamino 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid phenylmethoxycarbonylamino ester IUPAC Name: phenylmethoxycarbonylamino 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[[4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid benzyloxycarbonylamino ester Formula: C26H28N6O5 MolecularWeight: 504.53772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)NCCC(=O)ONC(=O)OCC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)NCCC(=O)ONC(=O)OCC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C26H28N6O5/c33-23(37-30-26(35)36-19-20-5-2-1-3-6-20)11-14-27-24(34)21-7-9-22(10-8-21)31-15-17-32(18-16-31)25-28-12-4-13-29-25/h1-10,12-13H,11,14-19H2,(H,27,34)(H,30,35)