2-[2-(4-butoxyphenyl)ethynyl]-5-octyl-pyridine

Systemtic Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-octyl-pyridine Openeye Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-octyl-pyridine CAS Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-octylpyridine IUPAC Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-octylpyridine Traditional Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-octyl-pyridine Formula: C25H33NO MolecularWeight: 363.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C25H33NO/c1-3-5-7-8-9-10-11-23-13-17-24(26-21-23)16-12-22-14-18-25(19-15-22)27-20-6-4-2/h13-15,17-19,21H,3-11,20H2,1-2H3