6-bromanyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-methyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-3-methyl-2-(p-tolyl)cinchoninic acid Formula: C18H14BrNO2 MolecularWeight: 356.21326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)C

InChI

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