4-[2-[1-(7-bromanylquinolin-2-yl)ethenyl]phenoxy]-3-methyl-butanoic acid

Systemtic Name: 4-[2-[1-(7-bromanylquinolin-2-yl)ethenyl]phenoxy]-3-methyl-butanoic acid Openeye Name: 4-[2-[1-(7-bromo-2-quinolyl)vinyl]phenoxy]-3-methyl-butanoic acid CAS Name: 4-[2-[1-(7-bromo-2-quinolinyl)ethenyl]phenoxy]-3-methylbutanoic acid IUPAC Name: 4-[2-[1-(7-bromoquinolin-2-yl)ethenyl]phenoxy]-3-methylbutanoic acid Traditional Name: 4-[2-[1-(7-bromo-2-quinolyl)vinyl]phenoxy]-3-methyl-butyric acid Formula: C22H20BrNO3 MolecularWeight: 426.3031

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)COC1=CC=CC=C1C(=C)C2=NC3=C(C=CC(=C3)Br)C=C2

Isomeric SMILES

CC(CC(=O)O)COC1=CC=CC=C1C(=C)C2=NC3=C(C=CC(=C3)Br)C=C2

InChI

InChI=1S/C22H20BrNO3/c1-14(11-22(25)26)13-27-21-6-4-3-5-18(21)15(2)19-10-8-16-7-9-17(23)12-20(16)24-19/h3-10,12,14H,2,11,13H2,1H3,(H,25,26)