2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylsulfonyl-propanoic acid

Systemtic Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylsulfonyl-propanoic acid Openeye Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylsulfonyl-propanoic acid CAS Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylsulfonylpropanoic acid IUPAC Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylsulfonylpropanoic acid Traditional Name: 2-mesyl-2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]propionic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1)C=C(C=C2)OC)OC3=CC=C(C=C3)C(C)(C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C1=NC2=C(N1)C=C(C=C2)OC)OC3=CC=C(C=C3)C(C)(C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O6S/c1-12(18-21-16-10-9-15(27-3)11-17(16)22-18)28-14-7-5-13(6-8-14)20(2,19(23)24)29(4,25)26/h5-12H,1-4H3,(H,21,22)(H,23,24)