6-[2-(5-bromanyl-2-but-2-ynoxy-phenyl)phenyl]pyridine-2-carboxylic acid

Systemtic Name: 6-[2-(5-bromanyl-2-but-2-ynoxy-phenyl)phenyl]pyridine-2-carboxylic acid Openeye Name: 6-[2-(5-bromo-2-but-2-ynoxy-phenyl)phenyl]pyridine-2-carboxylic acid CAS Name: 6-[2-(5-bromo-2-but-2-ynoxyphenyl)phenyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[2-(5-bromo-2-but-2-ynoxyphenyl)phenyl]pyridine-2-carboxylic acid Traditional Name: 6-[2-(5-bromo-2-but-2-ynoxy-phenyl)phenyl]picolinic acid Formula: C22H16BrNO3 MolecularWeight: 422.27134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=C(C=C(C=C1)Br)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)O

Isomeric SMILES

CC#CCOC1=C(C=C(C=C1)Br)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)O

InChI

InChI=1S/C22H16BrNO3/c1-2-3-13-27-21-12-11-15(23)14-18(21)16-7-4-5-8-17(16)19-9-6-10-20(24-19)22(25)26/h4-12,14H,13H2,1H3,(H,25,26)