6-bromanyl-3,7,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-3,7,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-3,7,8-trimethyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-3,7,8-trimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-3,7,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-3,7,8-trimethyl-2-(p-tolyl)cinchoninic acid Formula: C20H18BrNO2 MolecularWeight: 384.26642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2C)C(=O)O)Br)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2C)C(=O)O)Br)C)C

InChI

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