3-(4-tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid Openeye Name: 3-(4-tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid CAS Name: 3-(4-tert-butylphenoxy)-2-(4-chlorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid Traditional Name: 3-(4-tert-butylphenoxy)-2-(4-chlorophenyl)cinchoninic acid Formula: C26H22ClNO3 MolecularWeight: 431.91078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C26H22ClNO3/c1-26(2,3)17-10-14-19(15-11-17)31-24-22(25(29)30)20-6-4-5-7-21(20)28-23(24)16-8-12-18(27)13-9-16/h4-15H,1-3H3,(H,29,30)