(4-pentylphenyl) 2-fluoranyl-4-(5-pentylpyrazin-2-yl)benzoate

Systemtic Name: (4-pentylphenyl) 2-fluoranyl-4-(5-pentylpyrazin-2-yl)benzoate Openeye Name: (4-pentylphenyl) 2-fluoro-4-(5-pentylpyrazin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-pentyl-2-pyrazinyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2-fluoro-4-(5-pentylpyrazin-2-yl)benzoate Traditional Name: 4-(5-amylpyrazin-2-yl)-2-fluoro-benzoic acid (4-amylphenyl) ester Formula: C27H31FN2O2 MolecularWeight: 434.545643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=CN=C(C=N3)CCCCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=CN=C(C=N3)CCCCC)F

InChI

InChI=1S/C27H31FN2O2/c1-3-5-7-9-20-11-14-23(15-12-20)32-27(31)24-16-13-21(17-25(24)28)26-19-29-22(18-30-26)10-8-6-4-2/h11-19H,3-10H2,1-2H3