3-[4-[2-(2-chloranylpyridin-4-yl)ethynyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(2-chloranylpyridin-4-yl)ethynyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(2-chloro-4-pyridyl)ethynyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(2-chloro-4-pyridinyl)ethynyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(2-chloropyridin-4-yl)ethynyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(2-chloro-4-pyridyl)ethynyl]phenyl]propionic acid Formula: C16H12ClNO2 MolecularWeight: 285.72498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C#CC2=CC(=NC=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C#CC2=CC(=NC=C2)Cl

InChI

InChI=1S/C16H12ClNO2/c17-15-11-14(9-10-18-15)6-5-12-1-3-13(4-2-12)7-8-16(19)20/h1-4,9-11H,7-8H2,(H,19,20)