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

Systemtic Name: pyrazin-2-yl 5-(4-butylphenyl)-2-fluoranyl-4-pentyl-benzoate Openeye Name: pyrazin-2-yl 5-(4-butylphenyl)-2-fluoro-4-pentyl-benzoate CAS Name: 5-(4-butylphenyl)-2-fluoro-4-pentylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 5-(4-butylphenyl)-2-fluoro-4-pentylbenzoate Traditional Name: 4-amyl-5-(4-butylphenyl)-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=C1C2=CC=C(C=C2)CCCC)C(=O)OC3=NC=CN=C3)F

Isomeric SMILES

CCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCCC)C(=O)OC3=NC=CN=C3)F

InChI

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