2-(4-tert-butylphenyl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-6-methyl-cinchoninic acid Formula: C21H21NO2 MolecularWeight: 319.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(C)(C)C

InChI

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