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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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