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

Systemtic Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-octyl-pyridine Openeye Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-octyl-pyridine CAS Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-octylpyridine IUPAC Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-octylpyridine Traditional Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-octyl-pyridine Formula: C28H39NO MolecularWeight: 405.61536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO/c1-3-5-7-9-10-12-14-26-16-20-27(29-24-26)19-15-25-17-21-28(22-18-25)30-23-13-11-8-6-4-2/h16-18,20-22,24H,3-14,23H2,1-2H3