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

Systemtic Name: pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoranyl-4-heptyl-benzoate Openeye Name: pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoro-4-heptyl-benzoate CAS Name: 5-(4-ethylphenyl)-2-fluoro-4-heptylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoro-4-heptylbenzoate Traditional Name: 5-(4-ethylphenyl)-2-fluoro-4-heptyl-benzoic acid pyrazin-2-yl ester Formula: C26H29FN2O2 MolecularWeight: 420.519063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CC)C(=O)OC3=NC=CN=C3)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CC)C(=O)OC3=NC=CN=C3)F

InChI

InChI=1S/C26H29FN2O2/c1-3-5-6-7-8-9-21-16-24(27)23(26(30)31-25-18-28-14-15-29-25)17-22(21)20-12-10-19(4-2)11-13-20/h10-18H,3-9H2,1-2H3