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

Systemtic Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-heptyl-pyridine Openeye Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-heptyl-pyridine CAS Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-heptylpyridine IUPAC Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-heptylpyridine Traditional Name: 2-[2-(4-heptoxyphenyl)ethynyl]-5-heptyl-pyridine Formula: C27H37NO MolecularWeight: 391.58878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)OCCCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)OCCCCCCC

InChI

InChI=1S/C27H37NO/c1-3-5-7-9-11-13-25-15-19-26(28-23-25)18-14-24-16-20-27(21-17-24)29-22-12-10-8-6-4-2/h15-17,19-21,23H,3-13,22H2,1-2H3