6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-2-methoxy-pyridine-3-carboxylic acid

Systemtic Name: 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-2-methoxy-pyridine-3-carboxylic acid Openeye Name: 6-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-2-methoxy-pyridine-3-carboxylic acid CAS Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-methoxy-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-methoxypyridine-3-carboxylic acid Traditional Name: 6-[2-(2-benzoxy-5-bromo-phenyl)ethyl]-2-methoxy-nicotinic acid Formula: C22H20BrNO4 MolecularWeight: 442.3025

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=N1)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=N1)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H20BrNO4/c1-27-21-19(22(25)26)11-10-18(24-21)9-7-16-13-17(23)8-12-20(16)28-14-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9,14H2,1H3,(H,25,26)