2-[3-[2-(7-bromanylquinolin-2-yl)ethynyl]phenoxy]ethanoate

Systemtic Name: 2-[3-[2-(7-bromanylquinolin-2-yl)ethynyl]phenoxy]ethanoate Openeye Name: 2-[3-[2-(7-bromo-2-quinolyl)ethynyl]phenoxy]acetate CAS Name: 2-[3-[2-(7-bromo-2-quinolinyl)ethynyl]phenoxy]acetate IUPAC Name: 2-[3-[2-(7-bromoquinolin-2-yl)ethynyl]phenoxy]acetate Traditional Name: 2-[3-[2-(7-bromo-2-quinolyl)ethynyl]phenoxy]acetate Formula: C19H11BrNO3- MolecularWeight: 381.19954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)[O-])C#CC2=NC3=C(C=CC(=C3)Br)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)[O-])C#CC2=NC3=C(C=CC(=C3)Br)C=C2

InChI

InChI=1S/C19H12BrNO3/c20-15-7-5-14-6-9-16(21-18(14)11-15)8-4-13-2-1-3-17(10-13)24-12-19(22)23/h1-3,5-7,9-11H,12H2,(H,22,23)/p-1