6-[2-[5-bromanyl-2-(2,2-dimethylpropoxy)phenyl]phenyl]pyridine-2-carboxylic acid

Systemtic Name: 6-[2-[5-bromanyl-2-(2,2-dimethylpropoxy)phenyl]phenyl]pyridine-2-carboxylic acid Openeye Name: 6-[2-[5-bromo-2-(2,2-dimethylpropoxy)phenyl]phenyl]pyridine-2-carboxylic acid CAS Name: 6-[2-[5-bromo-2-(2,2-dimethylpropoxy)phenyl]phenyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[2-[5-bromo-2-(2,2-dimethylpropoxy)phenyl]phenyl]pyridine-2-carboxylic acid Traditional Name: 6-[2-(5-bromo-2-neopentyloxy-phenyl)phenyl]picolinic acid Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)Br)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)Br)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)O

InChI

InChI=1S/C23H22BrNO3/c1-23(2,3)14-28-21-12-11-15(24)13-18(21)16-7-4-5-8-17(16)19-9-6-10-20(25-19)22(26)27/h4-13H,14H2,1-3H3,(H,26,27)