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

Systemtic Name: 5-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]-3-phenoxy-oxolan-2-one Openeye Name: 5-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]-3-phenoxy-tetrahydrofuran-2-one CAS Name: 5-[[4-(5-octyl-2-pyrimidinyl)phenoxy]methyl]-3-phenoxy-2-oxolanone IUPAC Name: 5-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]-3-phenoxyoxolan-2-one Traditional Name: 5-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]-3-phenoxy-tetrahydrofuran-2-one Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3CC(C(=O)O3)OC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3CC(C(=O)O3)OC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O4/c1-2-3-4-5-6-8-11-22-19-30-28(31-20-22)23-14-16-24(17-15-23)33-21-26-18-27(29(32)35-26)34-25-12-9-7-10-13-25/h7,9-10,12-17,19-20,26-27H,2-6,8,11,18,21H2,1H3