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

Systemtic Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-hexyl-pyridine Openeye Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-hexyl-pyridine CAS Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-hexylpyridine IUPAC Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-hexylpyridine Traditional Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-hexyl-pyridine Formula: C26H35NO MolecularWeight: 377.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C#CC2=NC=C(C=C2)CCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C#CC2=NC=C(C=C2)CCCCCC

InChI

InChI=1S/C26H35NO/c1-3-5-7-9-11-21-28-26-19-15-23(16-20-26)13-17-25-18-14-24(22-27-25)12-10-8-6-4-2/h14-16,18-20,22H,3-12,21H2,1-2H3