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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(C)(C)C

InChI

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