2-(4-tert-butylphenyl)-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-3-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-3-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-3-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-3-methyl-cinchoninic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

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