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

Systemtic Name: 2-[2-(4-octoxyphenyl)ethynyl]-5-octyl-pyridine Openeye Name: 2-[2-(4-octoxyphenyl)ethynyl]-5-octyl-pyridine CAS Name: 2-[2-(4-octoxyphenyl)ethynyl]-5-octylpyridine IUPAC Name: 2-[2-(4-octoxyphenyl)ethynyl]-5-octylpyridine Traditional Name: 2-[2-(4-octoxyphenyl)ethynyl]-5-octyl-pyridine Formula: C29H41NO MolecularWeight: 419.64194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41NO/c1-3-5-7-9-11-13-15-27-17-21-28(30-25-27)20-16-26-18-22-29(23-19-26)31-24-14-12-10-8-6-4-2/h17-19,21-23,25H,3-15,24H2,1-2H3