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

Systemtic Name: pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoranyl-4-propyl-benzoate Openeye Name: pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoro-4-propyl-benzoate CAS Name: 5-(4-ethylphenyl)-2-fluoro-4-propylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 5-(4-ethylphenyl)-2-fluoro-4-propylbenzoate Traditional Name: 5-(4-ethylphenyl)-2-fluoro-4-propyl-benzoic acid pyrazin-2-yl ester Formula: C22H21FN2O2 MolecularWeight: 364.412743

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1C2=CC=C(C=C2)CC)C(=O)OC3=NC=CN=C3)F

Isomeric SMILES

CCCC1=CC(=C(C=C1C2=CC=C(C=C2)CC)C(=O)OC3=NC=CN=C3)F

InChI

InChI=1S/C22H21FN2O2/c1-3-5-17-12-20(23)19(22(26)27-21-14-24-10-11-25-21)13-18(17)16-8-6-15(4-2)7-9-16/h6-14H,3-5H2,1-2H3