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

Systemtic Name: pyrazin-2-yl 4-butyl-2-fluoranyl-5-(4-propylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-butyl-2-fluoro-5-(4-propylphenyl)benzoate CAS Name: 4-butyl-2-fluoro-5-(4-propylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-butyl-2-fluoro-5-(4-propylphenyl)benzoate Traditional Name: 4-butyl-2-fluoro-5-(4-propylphenyl)benzoic acid pyrazin-2-yl ester Formula: C24H25FN2O2 MolecularWeight: 392.465903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCC)C(=O)OC3=NC=CN=C3)F

Isomeric SMILES

CCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCC)C(=O)OC3=NC=CN=C3)F

InChI

InChI=1S/C24H25FN2O2/c1-3-5-7-19-14-22(25)21(24(28)29-23-16-26-12-13-27-23)15-20(19)18-10-8-17(6-4-2)9-11-18/h8-16H,3-7H2,1-2H3