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

Systemtic Name: 3-[3,5-bis(bromanyl)-4-(4-methyl-2-propyl-quinolin-6-yl)oxy-phenyl]propanoic acid Openeye Name: 3-[3,5-dibromo-4-[(4-methyl-2-propyl-6-quinolyl)oxy]phenyl]propanoic acid CAS Name: 3-[3,5-dibromo-4-[(4-methyl-2-propyl-6-quinolinyl)oxy]phenyl]propanoic acid IUPAC Name: 3-[3,5-dibromo-4-(4-methyl-2-propylquinolin-6-yl)oxyphenyl]propanoic acid Traditional Name: 3-[3,5-dibromo-4-[(4-methyl-2-propyl-6-quinolyl)oxy]phenyl]propionic acid Formula: C22H21Br2NO3 MolecularWeight: 507.21504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2)OC3=C(C=C(C=C3Br)CCC(=O)O)Br)C(=C1)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2)OC3=C(C=C(C=C3Br)CCC(=O)O)Br)C(=C1)C

InChI

InChI=1S/C22H21Br2NO3/c1-3-4-15-9-13(2)17-12-16(6-7-20(17)25-15)28-22-18(23)10-14(11-19(22)24)5-8-21(26)27/h6-7,9-12H,3-5,8H2,1-2H3,(H,26,27)