3-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-(p-tolyl)cinchoninic acid Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)O)N4C(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)O)N4C(=CC(=N4)C)C

InChI

InChI=1S/C23H21N3O2/c1-13-5-8-17(9-6-13)21-22(26-16(4)12-15(3)25-26)20(23(27)28)18-11-14(2)7-10-19(18)24-21/h5-12H,1-4H3,(H,27,28)