5-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]-3-propyl-oxolan-2-one

Systemtic Name: 5-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]-3-propyl-oxolan-2-one Openeye Name: 5-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]-3-propyl-tetrahydrofuran-2-one CAS Name: 5-[[4-(5-octyl-2-pyrimidinyl)phenoxy]methyl]-3-propyl-2-oxolanone IUPAC Name: 5-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]-3-propyloxolan-2-one Traditional Name: 5-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]-3-propyl-tetrahydrofuran-2-one Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3CC(C(=O)O3)CCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3CC(C(=O)O3)CCC

InChI

InChI=1S/C26H36N2O3/c1-3-5-6-7-8-9-11-20-17-27-25(28-18-20)21-12-14-23(15-13-21)30-19-24-16-22(10-4-2)26(29)31-24/h12-15,17-18,22,24H,3-11,16,19H2,1-2H3