2-[2-[2,3-bis(fluoranyl)-4-pentoxy-phenyl]ethynyl]-5-butyl-pyridine

Systemtic Name: 2-[2-[2,3-bis(fluoranyl)-4-pentoxy-phenyl]ethynyl]-5-butyl-pyridine Openeye Name: 5-butyl-2-[2-(2,3-difluoro-4-pentoxy-phenyl)ethynyl]pyridine CAS Name: 5-butyl-2-[2-(2,3-difluoro-4-pentoxyphenyl)ethynyl]pyridine IUPAC Name: 5-butyl-2-[2-(2,3-difluoro-4-pentoxyphenyl)ethynyl]pyridine Traditional Name: 2-[2-(4-amoxy-2,3-difluoro-phenyl)ethynyl]-5-butyl-pyridine Formula: C22H25F2NO MolecularWeight: 357.436806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C=C1)C#CC2=NC=C(C=C2)CCCC)F)F

Isomeric SMILES

CCCCCOC1=C(C(=C(C=C1)C#CC2=NC=C(C=C2)CCCC)F)F

InChI

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