pyrazin-2-yl 4-butyl-5-(4-butylphenyl)-2-fluoranyl-benzoate

Systemtic Name: pyrazin-2-yl 4-butyl-5-(4-butylphenyl)-2-fluoranyl-benzoate Openeye Name: pyrazin-2-yl 4-butyl-5-(4-butylphenyl)-2-fluoro-benzoate CAS Name: 4-butyl-5-(4-butylphenyl)-2-fluorobenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-butyl-5-(4-butylphenyl)-2-fluorobenzoate Traditional Name: 4-butyl-5-(4-butylphenyl)-2-fluoro-benzoic acid pyrazin-2-yl ester Formula: C25H27FN2O2 MolecularWeight: 406.492483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCCC)F)C(=O)OC3=NC=CN=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCCC)F)C(=O)OC3=NC=CN=C3

InChI

InChI=1S/C25H27FN2O2/c1-3-5-7-18-9-11-19(12-10-18)21-16-22(23(26)15-20(21)8-6-4-2)25(29)30-24-17-27-13-14-28-24/h9-17H,3-8H2,1-2H3