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

Systemtic Name: pyrazin-2-yl 2-fluoranyl-5-(4-pentylphenyl)-4-propyl-benzoate Openeye Name: pyrazin-2-yl 2-fluoro-5-(4-pentylphenyl)-4-propyl-benzoate CAS Name: 2-fluoro-5-(4-pentylphenyl)-4-propylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 2-fluoro-5-(4-pentylphenyl)-4-propylbenzoate Traditional Name: 5-(4-amylphenyl)-2-fluoro-4-propyl-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=C1)C2=CC(=C(C=C2CCC)F)C(=O)OC3=NC=CN=C3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCC)F)C(=O)OC3=NC=CN=C3

InChI

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