[3-fluoranyl-4-(5-pentylpyrimidin-2-yl)phenyl] 4-butylbenzoate

Systemtic Name: [3-fluoranyl-4-(5-pentylpyrimidin-2-yl)phenyl] 4-butylbenzoate Openeye Name: [3-fluoro-4-(5-pentylpyrimidin-2-yl)phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [3-fluoro-4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-pentylpyrimidin-2-yl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-(5-amylpyrimidin-2-yl)-3-fluoro-phenyl] ester Formula: C26H29FN2O2 MolecularWeight: 420.519063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)F

InChI

InChI=1S/C26H29FN2O2/c1-3-5-7-9-20-17-28-25(29-18-20)23-15-14-22(16-24(23)27)31-26(30)21-12-10-19(11-13-21)8-6-4-2/h10-18H,3-9H2,1-2H3