6-tert-butyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O

InChI

InChI=1S/C22H23NO2/c1-5-14-6-8-15(9-7-14)20-13-18(21(24)25)17-12-16(22(2,3)4)10-11-19(17)23-20/h6-13H,5H2,1-4H3,(H,24,25)