4-(2-octadecylpyrimidin-5-yl)benzoic acid

Systemtic Name: 4-(2-octadecylpyrimidin-5-yl)benzoic acid Openeye Name: 4-(2-octadecylpyrimidin-5-yl)benzoic acid CAS Name: 4-(2-octadecyl-5-pyrimidinyl)benzoic acid IUPAC Name: 4-(2-octadecylpyrimidin-5-yl)benzoic acid Traditional Name: 4-(2-stearylpyrimidin-5-yl)benzoic acid Formula: C29H44N2O2 MolecularWeight: 452.67186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C29H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-30-23-27(24-31-28)25-19-21-26(22-20-25)29(32)33/h19-24H,2-18H2,1H3,(H,32,33)