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

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

Systemtic Name:4-[(E)-4-(2-pyridin-4-ylphenyl)but-3-en-1-ynyl]benzoic acid
Openeye Name:4-[(E)-4-[2-(4-pyridyl)phenyl]but-3-en-1-ynyl]benzoic acid
CAS Name:4-[(E)-4-(2-pyridin-4-ylphenyl)but-3-en-1-ynyl]benzoic acid
IUPAC Name:4-[(E)-4-(2-pyridin-4-ylphenyl)but-3-en-1-ynyl]benzoic acid
Traditional Name:4-[(E)-4-[2-(4-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=CC=NC=C3


Isomeric SMILES

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


InChI

InChI=1S/C22H15NO2/c24-22(25)20-11-9-17(10-12-20)5-1-2-6-18-7-3-4-8-21(18)19-13-15-23-16-14-19/h2-4,6-16H,(H,24,25)/b6-2+


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