5,7-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 5,7-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-isopropylphenyl)-5,7-dimethyl-quinoline-4-carboxylic acid CAS Name: 5,7-dimethyl-2-(4-propan-2-ylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 5,7-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Traditional Name: 5,7-dimethyl-2-p-cumenyl-cinchoninic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=NC2=C1)C3=CC=C(C=C3)C(C)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=NC2=C1)C3=CC=C(C=C3)C(C)C)C(=O)O)C

InChI

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