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

Systemtic Name: pyrazin-2-yl 5-(4-butylphenyl)-2-fluoranyl-4-hexyl-benzoate Openeye Name: pyrazin-2-yl 5-(4-butylphenyl)-2-fluoro-4-hexyl-benzoate CAS Name: 5-(4-butylphenyl)-2-fluoro-4-hexylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 5-(4-butylphenyl)-2-fluoro-4-hexylbenzoate Traditional Name: 5-(4-butylphenyl)-2-fluoro-4-hexyl-benzoic acid pyrazin-2-yl ester Formula: C27H31FN2O2 MolecularWeight: 434.545643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31FN2O2/c1-3-5-7-8-10-22-17-25(28)24(27(31)32-26-19-29-15-16-30-26)18-23(22)21-13-11-20(12-14-21)9-6-4-2/h11-19H,3-10H2,1-2H3