3-[4-(2-pyridin-2-ylethynyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(2-pyridin-2-ylethynyl)phenyl]propanoic acid Openeye Name: 3-[4-[2-(2-pyridyl)ethynyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(2-pyridinyl)ethynyl]phenyl]propanoic acid IUPAC Name: 3-[4-(2-pyridin-2-ylethynyl)phenyl]propanoic acid Traditional Name: 3-[4-[2-(2-pyridyl)ethynyl]phenyl]propionic acid Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C16H13NO2/c18-16(19)11-9-14-6-4-13(5-7-14)8-10-15-3-1-2-12-17-15/h1-7,12H,9,11H2,(H,18,19)