2-[2-(4-heptylphenyl)ethynyl]-5-octoxy-pyridine

Systemtic Name: 2-[2-(4-heptylphenyl)ethynyl]-5-octoxy-pyridine Openeye Name: 2-[2-(4-heptylphenyl)ethynyl]-5-octoxy-pyridine CAS Name: 2-[2-(4-heptylphenyl)ethynyl]-5-octoxypyridine IUPAC Name: 2-[2-(4-heptylphenyl)ethynyl]-5-octoxypyridine Traditional Name: 2-[2-(4-heptylphenyl)ethynyl]-5-octoxy-pyridine Formula: C28H39NO MolecularWeight: 405.61536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(C=C1)C#CC2=CC=C(C=C2)CCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(C=C1)C#CC2=CC=C(C=C2)CCCCCCC

InChI

InChI=1S/C28H39NO/c1-3-5-7-9-11-13-23-30-28-22-21-27(29-24-28)20-19-26-17-15-25(16-18-26)14-12-10-8-6-4-2/h15-18,21-22,24H,3-14,23H2,1-2H3