3-[3,5-bis(bromanyl)-4-(8-fluoranyl-4-methyl-2-propyl-quinolin-6-yl)oxy-phenyl]propanoic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-4-(8-fluoranyl-4-methyl-2-propyl-quinolin-6-yl)oxy-phenyl]propanoic acid Openeye Name: 3-[3,5-dibromo-4-[(8-fluoro-4-methyl-2-propyl-6-quinolyl)oxy]phenyl]propanoic acid CAS Name: 3-[3,5-dibromo-4-[(8-fluoro-4-methyl-2-propyl-6-quinolinyl)oxy]phenyl]propanoic acid IUPAC Name: 3-[3,5-dibromo-4-(8-fluoro-4-methyl-2-propylquinolin-6-yl)oxyphenyl]propanoic acid Traditional Name: 3-[3,5-dibromo-4-[(8-fluoro-4-methyl-2-propyl-6-quinolyl)oxy]phenyl]propionic acid Formula: C22H20Br2FNO3 MolecularWeight: 525.205503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2C(=C1)C)OC3=C(C=C(C=C3Br)CCC(=O)O)Br)F

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2C(=C1)C)OC3=C(C=C(C=C3Br)CCC(=O)O)Br)F

InChI

InChI=1S/C22H20Br2FNO3/c1-3-4-14-7-12(2)16-10-15(11-19(25)21(16)26-14)29-22-17(23)8-13(9-18(22)24)5-6-20(27)28/h7-11H,3-6H2,1-2H3,(H,27,28)