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

Systemtic Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-methyl-pyridine Openeye Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-methyl-pyridine CAS Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-methylpyridine IUPAC Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-methylpyridine Traditional Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-methyl-pyridine Formula: C21H25NO MolecularWeight: 307.4293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO/c1-3-4-5-6-7-16-23-21-14-10-19(11-15-21)9-13-20-12-8-18(2)17-22-20/h8,10-12,14-15,17H,3-7,16H2,1-2H3