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

Systemtic Name: 2-[2-(4-octylphenyl)ethynyl]-5-propyl-pyridine Openeye Name: 2-[2-(4-octylphenyl)ethynyl]-5-propyl-pyridine CAS Name: 2-[2-(4-octylphenyl)ethynyl]-5-propylpyridine IUPAC Name: 2-[2-(4-octylphenyl)ethynyl]-5-propylpyridine Traditional Name: 2-[2-(4-octylphenyl)ethynyl]-5-propyl-pyridine Formula: C24H31N MolecularWeight: 333.50964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N/c1-3-5-6-7-8-9-11-21-12-14-22(15-13-21)16-18-24-19-17-23(10-4-2)20-25-24/h12-15,17,19-20H,3-11H2,1-2H3