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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15NO2/c24-22(25)21-12-6-4-10-18(21)9-2-1-7-17-8-3-5-11-20(17)19-13-15-23-16-14-19/h1,3-8,10-16H,(H,24,25)/p-1/b7-1+