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

Systemtic Name: pyrazin-2-yl 2-fluoranyl-5-(4-hexylphenyl)-4-pentyl-benzoate Openeye Name: pyrazin-2-yl 2-fluoro-5-(4-hexylphenyl)-4-pentyl-benzoate CAS Name: 2-fluoro-5-(4-hexylphenyl)-4-pentylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 2-fluoro-5-(4-hexylphenyl)-4-pentylbenzoate Traditional Name: 4-amyl-2-fluoro-5-(4-hexylphenyl)benzoic acid pyrazin-2-yl ester Formula: C28H33FN2O2 MolecularWeight: 448.572223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCCCC)F)C(=O)OC3=NC=CN=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCCCC)F)C(=O)OC3=NC=CN=C3

InChI

InChI=1S/C28H33FN2O2/c1-3-5-7-9-10-21-12-14-22(15-13-21)24-19-25(26(29)18-23(24)11-8-6-4-2)28(32)33-27-20-30-16-17-31-27/h12-20H,3-11H2,1-2H3