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

Systemtic Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-heptyl-pyridine Openeye Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-heptyl-pyridine CAS Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-heptylpyridine IUPAC Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-heptylpyridine Traditional Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-heptyl-pyridine Formula: C24H31NO MolecularWeight: 349.50904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO/c1-3-5-7-8-9-10-22-12-16-23(25-20-22)15-11-21-13-17-24(18-14-21)26-19-6-4-2/h12-14,16-18,20H,3-10,19H2,1-2H3