phenylmethoxycarbonylamino 3-[[3-methoxy-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate

Systemtic Name: phenylmethoxycarbonylamino 3-[[3-methoxy-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzyloxycarbonylamino 3-[[3-methoxy-4-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[[3-methoxy-4-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid phenylmethoxycarbonylamino ester IUPAC Name: phenylmethoxycarbonylamino 3-[[3-methoxy-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[3-methoxy-4-[4-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid benzyloxycarbonylamino ester Formula: C28H32N6O6 MolecularWeight: 548.59028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCCC(=O)ONC(=O)OCC2=CC=CC=C2)N3CCC(CC3)NC4=NC=CC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCCC(=O)ONC(=O)OCC2=CC=CC=C2)N3CCC(CC3)NC4=NC=CC=N4

InChI

InChI=1S/C28H32N6O6/c1-38-24-18-21(8-9-23(24)34-16-11-22(12-17-34)32-27-30-13-5-14-31-27)26(36)29-15-10-25(35)40-33-28(37)39-19-20-6-3-2-4-7-20/h2-9,13-14,18,22H,10-12,15-17,19H2,1H3,(H,29,36)(H,33,37)(H,30,31,32)