pyrazin-2-yl 2-fluoranyl-5-(4-hexylphenyl)-4-octyl-benzoate

Systemtic Name: pyrazin-2-yl 2-fluoranyl-5-(4-hexylphenyl)-4-octyl-benzoate Openeye Name: pyrazin-2-yl 2-fluoro-5-(4-hexylphenyl)-4-octyl-benzoate CAS Name: 2-fluoro-5-(4-hexylphenyl)-4-octylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 2-fluoro-5-(4-hexylphenyl)-4-octylbenzoate Traditional Name: 2-fluoro-5-(4-hexylphenyl)-4-octyl-benzoic acid pyrazin-2-yl ester Formula: C31H39FN2O2 MolecularWeight: 490.651963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCCCCC)C(=O)OC3=NC=CN=C3)F

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCCCCC)C(=O)OC3=NC=CN=C3)F

InChI

InChI=1S/C31H39FN2O2/c1-3-5-7-9-10-12-14-26-21-29(32)28(31(35)36-30-23-33-19-20-34-30)22-27(26)25-17-15-24(16-18-25)13-11-8-6-4-2/h15-23H,3-14H2,1-2H3