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

Systemtic Name: pyrazin-2-yl 5-(4-butylphenyl)-2-fluoranyl-4-heptyl-benzoate Openeye Name: pyrazin-2-yl 5-(4-butylphenyl)-2-fluoro-4-heptyl-benzoate CAS Name: 5-(4-butylphenyl)-2-fluoro-4-heptylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 5-(4-butylphenyl)-2-fluoro-4-heptylbenzoate Traditional Name: 5-(4-butylphenyl)-2-fluoro-4-heptyl-benzoic acid pyrazin-2-yl ester Formula: C28H33FN2O2 MolecularWeight: 448.572223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33FN2O2/c1-3-5-7-8-9-11-23-18-26(29)25(28(32)33-27-20-30-16-17-31-27)19-24(23)22-14-12-21(13-15-22)10-6-4-2/h12-20H,3-11H2,1-2H3