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

Systemtic Name: 5-methoxy-2-[2-(4-octylphenyl)ethynyl]pyridine Openeye Name: 5-methoxy-2-[2-(4-octylphenyl)ethynyl]pyridine CAS Name: 5-methoxy-2-[2-(4-octylphenyl)ethynyl]pyridine IUPAC Name: 5-methoxy-2-[2-(4-octylphenyl)ethynyl]pyridine Traditional Name: 5-methoxy-2-[2-(4-octylphenyl)ethynyl]pyridine Formula: C22H27NO MolecularWeight: 321.45588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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