3-(diethylamino)-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-(diethylamino)-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-(diethylamino)-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid CAS Name: 3-(diethylamino)-2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(diethylamino)-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-(diethylamino)-2-(3,4-dimethylphenyl)cinchoninic acid Formula: C22H24N2O2 MolecularWeight: 348.43816

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2/c1-5-24(6-2)21-19(22(25)26)17-9-7-8-10-18(17)23-20(21)16-12-11-14(3)15(4)13-16/h7-13H,5-6H2,1-4H3,(H,25,26)