2-[2-(4-ethoxyphenyl)ethynyl]-5-hexyl-pyridine

Systemtic Name: 2-[2-(4-ethoxyphenyl)ethynyl]-5-hexyl-pyridine Openeye Name: 2-[2-(4-ethoxyphenyl)ethynyl]-5-hexyl-pyridine CAS Name: 2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine IUPAC Name: 2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine Traditional Name: 5-hexyl-2-(2-p-phenetylethynyl)pyridine Formula: C21H25NO MolecularWeight: 307.4293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)OCC

InChI

InChI=1S/C21H25NO/c1-3-5-6-7-8-19-10-14-20(22-17-19)13-9-18-11-15-21(16-12-18)23-4-2/h10-12,14-17H,3-8H2,1-2H3