8-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 8-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 8-ethyl-3-methyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 8-ethyl-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 8-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 8-ethyl-3-methyl-2-(p-tolyl)cinchoninic acid Formula: C20H19NO2 MolecularWeight: 305.37036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C(C(=C(N=C21)C3=CC=C(C=C3)C)C)C(=O)O

Isomeric SMILES

CCC1=CC=CC2=C(C(=C(N=C21)C3=CC=C(C=C3)C)C)C(=O)O

InChI

InChI=1S/C20H19NO2/c1-4-14-6-5-7-16-17(20(22)23)13(3)18(21-19(14)16)15-10-8-12(2)9-11-15/h5-11H,4H2,1-3H3,(H,22,23)