6-bromanyl-8-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-8-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-8-ethyl-3-methyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-8-ethyl-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-8-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-8-ethyl-3-methyl-2-(p-tolyl)cinchoninic acid Formula: C20H18BrNO2 MolecularWeight: 384.26642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO2/c1-4-13-9-15(21)10-16-17(20(23)24)12(3)18(22-19(13)16)14-7-5-11(2)6-8-14/h5-10H,4H2,1-3H3,(H,23,24)