(4-pentylphenyl) 4-(5-butylpyrazin-2-yl)-2-fluoranyl-benzoate

Systemtic Name: (4-pentylphenyl) 4-(5-butylpyrazin-2-yl)-2-fluoranyl-benzoate Openeye Name: (4-pentylphenyl) 4-(5-butylpyrazin-2-yl)-2-fluoro-benzoate CAS Name: 4-(5-butyl-2-pyrazinyl)-2-fluorobenzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(5-butylpyrazin-2-yl)-2-fluorobenzoate Traditional Name: 4-(5-butylpyrazin-2-yl)-2-fluoro-benzoic acid (4-amylphenyl) ester Formula: C26H29FN2O2 MolecularWeight: 420.519063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=CN=C(C=N3)CCCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=CN=C(C=N3)CCCC)F

InChI

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