4-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-2-methoxy-pyridine-3-carboxylic acid

Systemtic Name: 4-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl]-2-methoxy-pyridine-3-carboxylic acid Openeye Name: 4-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-2-methoxy-pyridine-3-carboxylic acid CAS Name: 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-methoxy-3-pyridinecarboxylic acid IUPAC Name: 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-methoxypyridine-3-carboxylic acid Traditional Name: 4-[2-(2-benzoxy-5-bromo-phenyl)ethyl]-2-methoxy-nicotinic acid Formula: C22H20BrNO4 MolecularWeight: 442.3025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1C(=O)O)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=NC=CC(=C1C(=O)O)CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

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