2-(4-tert-butylphenyl)-6-(4-chloranyl-3-oxidanyl-phenyl)pyridine-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-6-(4-chloranyl-3-oxidanyl-phenyl)pyridine-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-6-(4-chloro-3-hydroxy-phenyl)pyridine-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-6-(4-chloro-3-hydroxyphenyl)-4-pyridinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-6-(4-chloro-3-hydroxyphenyl)pyridine-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-6-(4-chloro-3-hydroxy-phenyl)isonicotinic acid Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC(=C2)C(=O)O)C3=CC(=C(C=C3)Cl)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC(=C2)C(=O)O)C3=CC(=C(C=C3)Cl)O

InChI

InChI=1S/C22H20ClNO3/c1-22(2,3)16-7-4-13(5-8-16)18-10-15(21(26)27)11-19(24-18)14-6-9-17(23)20(25)12-14/h4-12,25H,1-3H3,(H,26,27)