ethyl 3-(2-isoquinolin-4-ylethynyl)benzoate

Systemtic Name: ethyl 3-(2-isoquinolin-4-ylethynyl)benzoate Openeye Name: ethyl 3-[2-(4-isoquinolyl)ethynyl]benzoate CAS Name: 3-[2-(4-isoquinolinyl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-isoquinolin-4-ylethynyl)benzoate Traditional Name: 3-[2-(4-isoquinolyl)ethynyl]benzoic acid ethyl ester Formula: C20H15NO2 MolecularWeight: 301.3386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C#CC2=CN=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C#CC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C20H15NO2/c1-2-23-20(22)16-8-5-6-15(12-16)10-11-18-14-21-13-17-7-3-4-9-19(17)18/h3-9,12-14H,2H2,1H3