hexyl [4-(5-octoxypyrimidin-2-yl)phenyl] carbonate

Systemtic Name: hexyl [4-(5-octoxypyrimidin-2-yl)phenyl] carbonate Openeye Name: hexyl [4-(5-octoxypyrimidin-2-yl)phenyl] carbonate CAS Name: carbonic acid hexyl [4-(5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: hexyl [4-(5-octoxypyrimidin-2-yl)phenyl] carbonate Traditional Name: carbonic acid hexyl [4-(5-octoxypyrimidin-2-yl)phenyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)OCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)OCCCCCC

InChI

InChI=1S/C25H36N2O4/c1-3-5-7-9-10-12-17-29-23-19-26-24(27-20-23)21-13-15-22(16-14-21)31-25(28)30-18-11-8-6-4-2/h13-16,19-20H,3-12,17-18H2,1-2H3