pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoranyl-4-hexyl-benzoate

Systemtic Name: pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoranyl-4-hexyl-benzoate Openeye Name: pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoro-4-hexyl-benzoate CAS Name: 5-(4-ethylphenyl)-2-fluoro-4-hexylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoro-4-hexylbenzoate Traditional Name: 5-(4-ethylphenyl)-2-fluoro-4-hexyl-benzoic acid pyrazin-2-yl ester Formula: C25H27FN2O2 MolecularWeight: 406.492483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CC)C(=O)OC3=NC=CN=C3)F

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CC)C(=O)OC3=NC=CN=C3)F

InChI

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