2-(4-tert-butylphenyl)-8-ethyl-quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(C)(C)C

InChI

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