2-(4-tert-butylphenyl)-5,7-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-5,7-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-5,7-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-5,7-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-5,7-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-5,7-dimethyl-cinchoninic acid Formula: C22H23NO2 MolecularWeight: 333.42352

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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)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO2/c1-13-10-14(2)20-17(21(24)25)12-18(23-19(20)11-13)15-6-8-16(9-7-15)22(3,4)5/h6-12H,1-5H3,(H,24,25)