2-[2-[2,3-bis(fluoranyl)-4-methoxy-phenyl]ethynyl]-5-hexyl-pyridine

Systemtic Name: 2-[2-[2,3-bis(fluoranyl)-4-methoxy-phenyl]ethynyl]-5-hexyl-pyridine Openeye Name: 2-[2-(2,3-difluoro-4-methoxy-phenyl)ethynyl]-5-hexyl-pyridine CAS Name: 2-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-5-hexylpyridine IUPAC Name: 2-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-5-hexylpyridine Traditional Name: 2-[2-(2,3-difluoro-4-methoxy-phenyl)ethynyl]-5-hexyl-pyridine Formula: C20H21F2NO MolecularWeight: 329.383646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C#CC2=C(C(=C(C=C2)OC)F)F

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C#CC2=C(C(=C(C=C2)OC)F)F

InChI

InChI=1S/C20H21F2NO/c1-3-4-5-6-7-15-8-11-17(23-14-15)12-9-16-10-13-18(24-2)20(22)19(16)21/h8,10-11,13-14H,3-7H2,1-2H3