4-[5-[(E)-2-(7-bromanylquinolin-2-yl)ethenyl]-2-chloranyl-phenoxy]butanoic acid

Systemtic Name: 4-[5-[(E)-2-(7-bromanylquinolin-2-yl)ethenyl]-2-chloranyl-phenoxy]butanoic acid Openeye Name: 4-[5-[(E)-2-(7-bromo-2-quinolyl)vinyl]-2-chloro-phenoxy]butanoic acid CAS Name: 4-[5-[(E)-2-(7-bromo-2-quinolinyl)ethenyl]-2-chlorophenoxy]butanoic acid IUPAC Name: 4-[5-[(E)-2-(7-bromoquinolin-2-yl)ethenyl]-2-chlorophenoxy]butanoic acid Traditional Name: 4-[5-[(E)-2-(7-bromo-2-quinolyl)vinyl]-2-chloro-phenoxy]butyric acid Formula: C21H17BrClNO3 MolecularWeight: 446.72158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=N2)C=CC3=CC(=C(C=C3)Cl)OCCCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=N2)/C=C/C3=CC(=C(C=C3)Cl)OCCCC(=O)O)Br

InChI

InChI=1S/C21H17BrClNO3/c22-16-7-5-15-6-9-17(24-19(15)13-16)8-3-14-4-10-18(23)20(12-14)27-11-1-2-21(25)26/h3-10,12-13H,1-2,11H2,(H,25,26)/b8-3+