5-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 5-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 5-chloro-8-methyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 5-chloro-8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 5-chloro-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 5-chloro-8-methyl-2-(p-tolyl)cinchoninic acid Formula: C18H14ClNO2 MolecularWeight: 311.76226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO2/c1-10-3-6-12(7-4-10)15-9-13(18(21)22)16-14(19)8-5-11(2)17(16)20-15/h3-9H,1-2H3,(H,21,22)