2-(4-tert-butylphenyl)-7,8-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-7,8-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-7,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-7,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-7,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-7,8-dimethyl-cinchoninic acid Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O)C

InChI

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