[4-(5-propylpyridin-2-yl)phenyl] 4-butyl-2-fluoranyl-benzoate

Systemtic Name: [4-(5-propylpyridin-2-yl)phenyl] 4-butyl-2-fluoranyl-benzoate Openeye Name: [4-(5-propyl-2-pyridyl)phenyl] 4-butyl-2-fluoro-benzoate CAS Name: 4-butyl-2-fluorobenzoic acid [4-(5-propyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-propylpyridin-2-yl)phenyl] 4-butyl-2-fluorobenzoate Traditional Name: 4-butyl-2-fluoro-benzoic acid [4-(5-propyl-2-pyridyl)phenyl] ester Formula: C25H26FNO2 MolecularWeight: 391.477843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCC)F

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCC)F

InChI

InChI=1S/C25H26FNO2/c1-3-5-7-18-8-14-22(23(26)16-18)25(28)29-21-12-10-20(11-13-21)24-15-9-19(6-4-2)17-27-24/h8-17H,3-7H2,1-2H3