3-(diethylamino)-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-(diethylamino)-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-(diethylamino)-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 3-(diethylamino)-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(diethylamino)-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-(diethylamino)-2-(p-tolyl)cinchoninic acid Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCN(CC)C1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C21H22N2O2/c1-4-23(5-2)20-18(21(24)25)16-8-6-7-9-17(16)22-19(20)15-12-10-14(3)11-13-15/h6-13H,4-5H2,1-3H3,(H,24,25)