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

Systemtic Name: pyrazin-2-yl 2-fluoranyl-4-pentyl-5-(4-propylphenyl)benzoate Openeye Name: pyrazin-2-yl 2-fluoro-4-pentyl-5-(4-propylphenyl)benzoate CAS Name: 2-fluoro-4-pentyl-5-(4-propylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 2-fluoro-4-pentyl-5-(4-propylphenyl)benzoate Traditional Name: 4-amyl-2-fluoro-5-(4-propylphenyl)benzoic acid pyrazin-2-yl ester Formula: C25H27FN2O2 MolecularWeight: 406.492483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN2O2/c1-3-5-6-8-20-15-23(26)22(25(29)30-24-17-27-13-14-28-24)16-21(20)19-11-9-18(7-4-2)10-12-19/h9-17H,3-8H2,1-2H3