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

Systemtic Name: 4-[[2-(5-nonylpyrimidin-2-yl)phenoxy]methyl]-2-octyl-benzoic acid Openeye Name: 4-[[2-(5-nonylpyrimidin-2-yl)phenoxy]methyl]-2-octyl-benzoic acid CAS Name: 4-[[2-(5-nonyl-2-pyrimidinyl)phenoxy]methyl]-2-octylbenzoic acid IUPAC Name: 4-[[2-(5-nonylpyrimidin-2-yl)phenoxy]methyl]-2-octylbenzoic acid Traditional Name: 4-[[2-(5-nonylpyrimidin-2-yl)phenoxy]methyl]-2-octyl-benzoic acid Formula: C35H48N2O3 MolecularWeight: 544.76722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OCC3=CC(=C(C=C3)C(=O)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OCC3=CC(=C(C=C3)C(=O)O)CCCCCCCC

InChI

InChI=1S/C35H48N2O3/c1-3-5-7-9-11-12-14-18-29-25-36-34(37-26-29)32-20-16-17-21-33(32)40-27-28-22-23-31(35(38)39)30(24-28)19-15-13-10-8-6-4-2/h16-17,20-26H,3-15,18-19,27H2,1-2H3,(H,38,39)