2-[(E)-4-(2-pyridin-3-ylphenyl)but-3-en-1-ynyl]benzoate

Systemtic Name: 2-[(E)-4-(2-pyridin-3-ylphenyl)but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[2-(3-pyridyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[2-(3-pyridinyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-(2-pyridin-3-ylphenyl)but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[2-(3-pyridyl)phenyl]but-3-en-1-ynyl]benzoate Formula: C22H14NO2- MolecularWeight: 324.35206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC#CC2=CC=CC=C2C(=O)[O-])C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C#CC2=CC=CC=C2C(=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C22H15NO2/c24-22(25)21-14-6-4-11-18(21)10-2-1-8-17-9-3-5-13-20(17)19-12-7-15-23-16-19/h1,3-9,11-16H,(H,24,25)/p-1/b8-1+