2-[2-(4-butoxyphenyl)ethynyl]-5-pentyl-pyridine

Systemtic Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-pentyl-pyridine Openeye Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-pentyl-pyridine CAS Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-pentylpyridine IUPAC Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-pentylpyridine Traditional Name: 5-amyl-2-[2-(4-butoxyphenyl)ethynyl]pyridine Formula: C22H27NO MolecularWeight: 321.45588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C22H27NO/c1-3-5-7-8-20-10-14-21(23-18-20)13-9-19-11-15-22(16-12-19)24-17-6-4-2/h10-12,14-16,18H,3-8,17H2,1-2H3