tert-butyl [3-oxidanyl-4-(5-phenylmethoxypyrimidin-2-yl)piperidin-1-yl] carbonate

Systemtic Name: tert-butyl [3-oxidanyl-4-(5-phenylmethoxypyrimidin-2-yl)piperidin-1-yl] carbonate Openeye Name: [4-(5-benzyloxypyrimidin-2-yl)-3-hydroxy-1-piperidyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-hydroxy-4-(5-phenylmethoxy-2-pyrimidinyl)-1-piperidinyl] ester IUPAC Name: tert-butyl [3-hydroxy-4-(5-phenylmethoxypyrimidin-2-yl)piperidin-1-yl] carbonate Traditional Name: carbonic acid [4-(5-benzoxypyrimidin-2-yl)-3-hydroxy-piperidino] tert-butyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)ON1CCC(C(C1)O)C2=NC=C(C=N2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCC(C(C1)O)C2=NC=C(C=N2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O5/c1-21(2,3)28-20(26)29-24-10-9-17(18(25)13-24)19-22-11-16(12-23-19)27-14-15-7-5-4-6-8-15/h4-8,11-12,17-18,25H,9-10,13-14H2,1-3H3