6-bromanyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-8-methyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-8-methyl-2-(p-tolyl)cinchoninic acid Formula: C18H14BrNO2 MolecularWeight: 356.21326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)Br)C

InChI

InChI=1S/C18H14BrNO2/c1-10-3-5-12(6-4-10)16-9-15(18(21)22)14-8-13(19)7-11(2)17(14)20-16/h3-9H,1-2H3,(H,21,22)