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

Systemtic Name: 2-[2-[2,3-bis(fluoranyl)-4-propoxy-phenyl]ethynyl]-5-hexyl-pyridine Openeye Name: 2-[2-(2,3-difluoro-4-propoxy-phenyl)ethynyl]-5-hexyl-pyridine CAS Name: 2-[2-(2,3-difluoro-4-propoxyphenyl)ethynyl]-5-hexylpyridine IUPAC Name: 2-[2-(2,3-difluoro-4-propoxyphenyl)ethynyl]-5-hexylpyridine Traditional Name: 2-[2-(2,3-difluoro-4-propoxy-phenyl)ethynyl]-5-hexyl-pyridine Formula: C22H25F2NO MolecularWeight: 357.436806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F2NO/c1-3-5-6-7-8-17-9-12-19(25-16-17)13-10-18-11-14-20(26-15-4-2)22(24)21(18)23/h9,11-12,14,16H,3-8,15H2,1-2H3