2-[2-(4-bromophenyl)ethynyl]-5-octoxy-pyridine

Systemtic Name: 2-[2-(4-bromophenyl)ethynyl]-5-octoxy-pyridine Openeye Name: 2-[2-(4-bromophenyl)ethynyl]-5-octoxy-pyridine CAS Name: 2-[2-(4-bromophenyl)ethynyl]-5-octoxypyridine IUPAC Name: 2-[2-(4-bromophenyl)ethynyl]-5-octoxypyridine Traditional Name: 2-[2-(4-bromophenyl)ethynyl]-5-octoxy-pyridine Formula: C21H24BrNO MolecularWeight: 386.32536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(C=C1)C#CC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCCOC1=CN=C(C=C1)C#CC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H24BrNO/c1-2-3-4-5-6-7-16-24-21-15-14-20(23-17-21)13-10-18-8-11-19(22)12-9-18/h8-9,11-12,14-15,17H,2-7,16H2,1H3