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

Systemtic Name: 2-[2-(4-ethoxyphenyl)ethynyl]-5-heptyl-pyridine Openeye Name: 2-[2-(4-ethoxyphenyl)ethynyl]-5-heptyl-pyridine CAS Name: 2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine IUPAC Name: 2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine Traditional Name: 5-heptyl-2-(2-p-phenetylethynyl)pyridine Formula: C22H27NO MolecularWeight: 321.45588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H27NO/c1-3-5-6-7-8-9-20-11-15-21(23-18-20)14-10-19-12-16-22(17-13-19)24-4-2/h11-13,15-18H,3-9H2,1-2H3