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

Systemtic Name: 6-bromanyl-8-ethyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-8-ethyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-8-ethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-8-ethyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-8-ethyl-2-(p-tolyl)cinchoninic acid Formula: C19H16BrNO2 MolecularWeight: 370.23984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C19H16BrNO2/c1-3-12-8-14(20)9-15-16(19(22)23)10-17(21-18(12)15)13-6-4-11(2)5-7-13/h4-10H,3H2,1-2H3,(H,22,23)