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

Systemtic Name: 5-methyl-2-[2-(4-octylphenyl)ethynyl]pyridine Openeye Name: 5-methyl-2-[2-(4-octylphenyl)ethynyl]pyridine CAS Name: 5-methyl-2-[2-(4-octylphenyl)ethynyl]pyridine IUPAC Name: 5-methyl-2-[2-(4-octylphenyl)ethynyl]pyridine Traditional Name: 5-methyl-2-[2-(4-octylphenyl)ethynyl]pyridine Formula: C22H27N MolecularWeight: 305.45648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N/c1-3-4-5-6-7-8-9-20-11-13-21(14-12-20)15-17-22-16-10-19(2)18-23-22/h10-14,16,18H,3-9H2,1-2H3