4-octoxy-3,5-bis(2-pyridin-4-ylethynyl)benzaldehyde

Systemtic Name: 4-octoxy-3,5-bis(2-pyridin-4-ylethynyl)benzaldehyde Openeye Name: 4-octoxy-3,5-bis[2-(4-pyridyl)ethynyl]benzaldehyde CAS Name: 4-octoxy-3,5-bis(2-pyridin-4-ylethynyl)benzaldehyde IUPAC Name: 4-octoxy-3,5-bis(2-pyridin-4-ylethynyl)benzaldehyde Traditional Name: 4-octoxy-3,5-bis[2-(4-pyridyl)ethynyl]benzaldehyde Formula: C29H28N2O2 MolecularWeight: 436.54482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1C#CC2=CC=NC=C2)C=O)C#CC3=CC=NC=C3

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1C#CC2=CC=NC=C2)C=O)C#CC3=CC=NC=C3

InChI

InChI=1S/C29H28N2O2/c1-2-3-4-5-6-7-20-33-29-27(10-8-24-12-16-30-17-13-24)21-26(23-32)22-28(29)11-9-25-14-18-31-19-15-25/h12-19,21-23H,2-7,20H2,1H3