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

Systemtic Name: phenylmethoxycarbonylamino 3-[[3-fluoranyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate Openeye Name: benzyloxycarbonylamino 3-[[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[[3-fluoro-4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-oxomethyl]amino]propanoic acid phenylmethoxycarbonylamino ester IUPAC Name: phenylmethoxycarbonylamino 3-[[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[[3-fluoro-4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid benzyloxycarbonylamino ester Formula: C26H27FN6O5 MolecularWeight: 522.528183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27FN6O5/c27-21-17-20(7-8-22(21)32-13-15-33(16-14-32)25-29-10-4-11-30-25)24(35)28-12-9-23(34)38-31-26(36)37-18-19-5-2-1-3-6-19/h1-8,10-11,17H,9,12-16,18H2,(H,28,35)(H,31,36)