6-butan-2-yl-2-(3-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butan-2-yl-2-(3-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(m-tolyl)-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-(3-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-(3-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(m-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=C3)C

Isomeric SMILES

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

InChI

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