2-[2-(4-octylphenyl)ethynyl]-5-pentoxy-pyridine

Systemtic Name: 2-[2-(4-octylphenyl)ethynyl]-5-pentoxy-pyridine Openeye Name: 2-[2-(4-octylphenyl)ethynyl]-5-pentoxy-pyridine CAS Name: 2-[2-(4-octylphenyl)ethynyl]-5-pentoxypyridine IUPAC Name: 2-[2-(4-octylphenyl)ethynyl]-5-pentoxypyridine Traditional Name: 5-amoxy-2-[2-(4-octylphenyl)ethynyl]pyridine Formula: C26H35NO MolecularWeight: 377.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=C2)OCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=C2)OCCCCC

InChI

InChI=1S/C26H35NO/c1-3-5-7-8-9-10-12-23-13-15-24(16-14-23)17-18-25-19-20-26(22-27-25)28-21-11-6-4-2/h13-16,19-20,22H,3-12,21H2,1-2H3