2-[6-bromanyl-4-(4-chlorophenyl)-2-methyl-quinolin-3-yl]-4-methyl-pentanoic acid

Systemtic Name: 2-[6-bromanyl-4-(4-chlorophenyl)-2-methyl-quinolin-3-yl]-4-methyl-pentanoic acid Openeye Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolyl]-4-methyl-pentanoic acid CAS Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolinyl]-4-methylpentanoic acid IUPAC Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]-4-methylpentanoic acid Traditional Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolyl]-4-methyl-valeric acid Formula: C22H21BrClNO2 MolecularWeight: 446.76464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=C(C=C3)Cl)C(CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=C(C=C3)Cl)C(CC(C)C)C(=O)O

InChI

InChI=1S/C22H21BrClNO2/c1-12(2)10-18(22(26)27)20-13(3)25-19-9-6-15(23)11-17(19)21(20)14-4-7-16(24)8-5-14/h4-9,11-12,18H,10H2,1-3H3,(H,26,27)