3-butyl-5-[[4-(5-octoxypyrimidin-2-yl)phenoxy]methyl]oxolan-2-one

Systemtic Name: 3-butyl-5-[[4-(5-octoxypyrimidin-2-yl)phenoxy]methyl]oxolan-2-one Openeye Name: 3-butyl-5-[[4-(5-octoxypyrimidin-2-yl)phenoxy]methyl]tetrahydrofuran-2-one CAS Name: 3-butyl-5-[[4-(5-octoxy-2-pyrimidinyl)phenoxy]methyl]-2-oxolanone IUPAC Name: 3-butyl-5-[[4-(5-octoxypyrimidin-2-yl)phenoxy]methyl]oxolan-2-one Traditional Name: 3-butyl-5-[[4-(5-octoxypyrimidin-2-yl)phenoxy]methyl]tetrahydrofuran-2-one Formula: C27H38N2O4 MolecularWeight: 454.60162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3CC(C(=O)O3)CCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3CC(C(=O)O3)CCCC

InChI

InChI=1S/C27H38N2O4/c1-3-5-7-8-9-10-16-31-25-18-28-26(29-19-25)21-12-14-23(15-13-21)32-20-24-17-22(11-6-4-2)27(30)33-24/h12-15,18-19,22,24H,3-11,16-17,20H2,1-2H3