6-butan-2-yl-2-(2-methylphenyl)quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C21H21NO2/c1-4-13(2)15-9-10-19-17(11-15)18(21(23)24)12-20(22-19)16-8-6-5-7-14(16)3/h5-13H,4H2,1-3H3,(H,23,24)