2-(6-ethynylisoquinolin-4-yl)ethanoic acid

Systemtic Name: 2-(6-ethynylisoquinolin-4-yl)ethanoic acid Openeye Name: 2-(6-ethynyl-4-isoquinolyl)acetic acid CAS Name: 2-(6-ethynyl-4-isoquinolinyl)acetic acid IUPAC Name: 2-(6-ethynylisoquinolin-4-yl)acetic acid Traditional Name: 2-(6-ethynyl-4-isoquinolyl)acetic acid Formula: C13H9NO2 MolecularWeight: 211.21606

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=NC=C2C=C1)CC(=O)O

Isomeric SMILES

C#CC1=CC2=C(C=NC=C2C=C1)CC(=O)O

InChI

InChI=1S/C13H9NO2/c1-2-9-3-4-10-7-14-8-11(6-13(15)16)12(10)5-9/h1,3-5,7-8H,6H2,(H,15,16)