5-butyl-2-[2-(4-octylphenyl)ethynyl]pyridine

Systemtic Name: 5-butyl-2-[2-(4-octylphenyl)ethynyl]pyridine Openeye Name: 5-butyl-2-[2-(4-octylphenyl)ethynyl]pyridine CAS Name: 5-butyl-2-[2-(4-octylphenyl)ethynyl]pyridine IUPAC Name: 5-butyl-2-[2-(4-octylphenyl)ethynyl]pyridine Traditional Name: 5-butyl-2-[2-(4-octylphenyl)ethynyl]pyridine Formula: C25H33N MolecularWeight: 347.53622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=C2)CCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=C2)CCCC

InChI

InChI=1S/C25H33N/c1-3-5-7-8-9-10-12-22-13-15-23(16-14-22)17-19-25-20-18-24(21-26-25)11-6-4-2/h13-16,18,20-21H,3-12H2,1-2H3