[4-(5-octylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoranyl-benzoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoranyl-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoro-benzoate CAS Name: 4-butoxy-2-fluorobenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluorobenzoate Traditional Name: 4-butoxy-2-fluoro-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C29H35FN2O3 MolecularWeight: 478.598203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCC)F

InChI

InChI=1S/C29H35FN2O3/c1-3-5-7-8-9-10-11-22-20-31-28(32-21-22)23-12-14-24(15-13-23)35-29(33)26-17-16-25(19-27(26)30)34-18-6-4-2/h12-17,19-21H,3-11,18H2,1-2H3