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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O4/c1-4-5-6-7-8-9-14-31-25-17-28-26(29-18-25)21-10-12-23(13-11-21)32-19-24-16-22(15-20(2)3)27(30)33-24/h10-13,17-18,20,22,24H,4-9,14-16,19H2,1-3H3