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

Systemtic Name: 4-[(E)-4-(2-pyridin-3-ylphenyl)but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[2-(3-pyridyl)phenyl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[2-(3-pyridinyl)phenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-(2-pyridin-3-ylphenyl)but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[2-(3-pyridyl)phenyl]but-3-en-1-ynyl]benzoic acid Formula: C22H15NO2 MolecularWeight: 325.36

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC#CC2=CC=C(C=C2)C(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C#CC2=CC=C(C=C2)C(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H15NO2/c24-22(25)19-13-11-17(12-14-19)6-1-2-7-18-8-3-4-10-21(18)20-9-5-15-23-16-20/h2-5,7-16H,(H,24,25)/b7-2+