[3-fluoranyl-4-(5-propylpyrimidin-2-yl)phenyl] 4-hexylbenzoate

Systemtic Name: [3-fluoranyl-4-(5-propylpyrimidin-2-yl)phenyl] 4-hexylbenzoate Openeye Name: [3-fluoro-4-(5-propylpyrimidin-2-yl)phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [3-fluoro-4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-propylpyrimidin-2-yl)phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [3-fluoro-4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C26H29FN2O2 MolecularWeight: 420.519063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCC)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCC)F

InChI

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