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

Systemtic Name: 6-tert-butyl-2-(3-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(m-tolyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(3-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(3-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(m-tolyl)cinchoninic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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