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

Systemtic Name: pyrazin-2-yl 2-fluoranyl-4-nonyl-5-(4-propylphenyl)benzoate Openeye Name: pyrazin-2-yl 2-fluoro-4-nonyl-5-(4-propylphenyl)benzoate CAS Name: 2-fluoro-4-nonyl-5-(4-propylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 2-fluoro-4-nonyl-5-(4-propylphenyl)benzoate Traditional Name: 2-fluoro-4-nonyl-5-(4-propylphenyl)benzoic acid pyrazin-2-yl ester Formula: C29H35FN2O2 MolecularWeight: 462.598803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCC)C(=O)OC3=NC=CN=C3)F

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCC)C(=O)OC3=NC=CN=C3)F

InChI

InChI=1S/C29H35FN2O2/c1-3-5-6-7-8-9-10-12-24-19-27(30)26(29(33)34-28-21-31-17-18-32-28)20-25(24)23-15-13-22(11-4-2)14-16-23/h13-21H,3-12H2,1-2H3