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

Systemtic Name: 2-(4-tert-butylphenyl)-6-ethoxy-quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-6-ethoxy-quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-6-ethoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-6-ethoxyquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-6-ethoxy-cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H23NO3/c1-5-26-16-10-11-19-17(12-16)18(21(24)25)13-20(23-19)14-6-8-15(9-7-14)22(2,3)4/h6-13H,5H2,1-4H3,(H,24,25)