pyrazin-2-yl 4-butyl-2-fluoranyl-5-(4-pentylphenyl)benzoate

Systemtic Name: pyrazin-2-yl 4-butyl-2-fluoranyl-5-(4-pentylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-butyl-2-fluoro-5-(4-pentylphenyl)benzoate CAS Name: 4-butyl-2-fluoro-5-(4-pentylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-butyl-2-fluoro-5-(4-pentylphenyl)benzoate Traditional Name: 5-(4-amylphenyl)-4-butyl-2-fluoro-benzoic acid pyrazin-2-yl ester Formula: C26H29FN2O2 MolecularWeight: 420.519063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCCC)F)C(=O)OC3=NC=CN=C3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCCC)F)C(=O)OC3=NC=CN=C3

InChI

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