[2-(4-octylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-octoxy-benzoate

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-octoxy-benzoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] 2-fluoro-4-octoxy-benzoate CAS Name: 2-fluoro-4-octoxybenzoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] 2-fluoro-4-octoxybenzoate Traditional Name: 2-fluoro-4-octoxy-benzoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C33H43FN2O3 MolecularWeight: 534.704523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCCCCCCC)F

InChI

InChI=1S/C33H43FN2O3/c1-3-5-7-9-11-13-15-26-16-18-27(19-17-26)32-35-24-29(25-36-32)39-33(37)30-21-20-28(23-31(30)34)38-22-14-12-10-8-6-4-2/h16-21,23-25H,3-15,22H2,1-2H3