3,6-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3,6-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-isopropylphenyl)-3,6-dimethyl-quinoline-4-carboxylic acid CAS Name: 3,6-dimethyl-2-(4-propan-2-ylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3,6-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Traditional Name: 3,6-dimethyl-2-p-cumenyl-cinchoninic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)C(C)C)C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)C(C)C)C)C(=O)O

InChI

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