4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]-2-octyl-benzoate

Systemtic Name: 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]-2-octyl-benzoate Openeye Name: 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]-2-octyl-benzoate CAS Name: 4-[[4-(5-nonyl-2-pyrimidinyl)phenoxy]methyl]-2-octylbenzoate IUPAC Name: 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]-2-octylbenzoate Traditional Name: 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]-2-octyl-benzoate Formula: C35H47N2O3- MolecularWeight: 543.75928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC(=C(C=C3)C(=O)[O-])CCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC(=C(C=C3)C(=O)[O-])CCCCCCCC

InChI

InChI=1S/C35H48N2O3/c1-3-5-7-9-11-12-14-16-29-25-36-34(37-26-29)30-19-21-32(22-20-30)40-27-28-18-23-33(35(38)39)31(24-28)17-15-13-10-8-6-4-2/h18-26H,3-17,27H2,1-2H3,(H,38,39)/p-1