6-tert-butyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-tert-butyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(3,4-dimethylphenyl)cinchoninic acid Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O)C

InChI

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