6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(p-tolyl)cinchoninic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21NO2/c1-3-4-5-15-8-11-19-17(12-15)18(21(23)24)13-20(22-19)16-9-6-14(2)7-10-16/h6-13H,3-5H2,1-2H3,(H,23,24)