4-[3-[2-(7-bromanylquinolin-2-yl)ethynyl]phenoxy]butanoic acid

Systemtic Name: 4-[3-[2-(7-bromanylquinolin-2-yl)ethynyl]phenoxy]butanoic acid Openeye Name: 4-[3-[2-(7-bromo-2-quinolyl)ethynyl]phenoxy]butanoic acid CAS Name: 4-[3-[2-(7-bromo-2-quinolinyl)ethynyl]phenoxy]butanoic acid IUPAC Name: 4-[3-[2-(7-bromoquinolin-2-yl)ethynyl]phenoxy]butanoic acid Traditional Name: 4-[3-[2-(7-bromo-2-quinolyl)ethynyl]phenoxy]butyric acid Formula: C21H16BrNO3 MolecularWeight: 410.26064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCC(=O)O)C#CC2=NC3=C(C=CC(=C3)Br)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)OCCCC(=O)O)C#CC2=NC3=C(C=CC(=C3)Br)C=C2

InChI

InChI=1S/C21H16BrNO3/c22-17-9-7-16-8-11-18(23-20(16)14-17)10-6-15-3-1-4-19(13-15)26-12-2-5-21(24)25/h1,3-4,7-9,11,13-14H,2,5,12H2,(H,24,25)