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

Systemtic Name: pyrazin-2-yl 2-fluoranyl-4-heptyl-5-(4-propylphenyl)benzoate Openeye Name: pyrazin-2-yl 2-fluoro-4-heptyl-5-(4-propylphenyl)benzoate CAS Name: 2-fluoro-4-heptyl-5-(4-propylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 2-fluoro-4-heptyl-5-(4-propylphenyl)benzoate Traditional Name: 2-fluoro-4-heptyl-5-(4-propylphenyl)benzoic acid pyrazin-2-yl ester Formula: C27H31FN2O2 MolecularWeight: 434.545643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCC)C(=O)OC3=NC=CN=C3)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCC)C(=O)OC3=NC=CN=C3)F

InChI

InChI=1S/C27H31FN2O2/c1-3-5-6-7-8-10-22-17-25(28)24(27(31)32-26-19-29-15-16-30-26)18-23(22)21-13-11-20(9-4-2)12-14-21/h11-19H,3-10H2,1-2H3