[4-(5-decylpyrimidin-2-yl)-3-fluoranyl-phenyl] 4-nonylbenzoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)-3-fluoranyl-phenyl] 4-nonylbenzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] 4-nonylbenzoate CAS Name: 4-nonylbenzoic acid [4-(5-decyl-2-pyrimidinyl)-3-fluorophenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)-3-fluorophenyl] 4-nonylbenzoate Traditional Name: 4-nonylbenzoic acid [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] ester Formula: C36H49FN2O2 MolecularWeight: 560.784863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCCC)F

InChI

InChI=1S/C36H49FN2O2/c1-3-5-7-9-11-13-15-17-19-30-27-38-35(39-28-30)33-25-24-32(26-34(33)37)41-36(40)31-22-20-29(21-23-31)18-16-14-12-10-8-6-4-2/h20-28H,3-19H2,1-2H3