3-[2-ethyl-4,5-bis(4-methoxyphenyl)-3-oxidanidyl-imidazol-3-ium-1-yl]propanoic acid

Systemtic Name: 3-[2-ethyl-4,5-bis(4-methoxyphenyl)-3-oxidanidyl-imidazol-3-ium-1-yl]propanoic acid Openeye Name: 3-[2-ethyl-4,5-bis(4-methoxyphenyl)-3-oxido-imidazol-3-ium-1-yl]propanoic acid CAS Name: 3-[2-ethyl-4,5-bis(4-methoxyphenyl)-3-oxido-1-imidazol-3-iumyl]propanoic acid IUPAC Name: 3-[2-ethyl-4,5-bis(4-methoxyphenyl)-3-oxidoimidazol-3-ium-1-yl]propanoic acid Traditional Name: 3-[2-ethyl-4,5-bis(4-methoxyphenyl)-3-oxido-imidazol-3-ium-1-yl]propionic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=C(N1CCC(=O)O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)[O-]

Isomeric SMILES

CCC1=[N+](C(=C(N1CCC(=O)O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)[O-]

InChI

InChI=1S/C22H24N2O5/c1-4-19-23(14-13-20(25)26)21(15-5-9-17(28-2)10-6-15)22(24(19)27)16-7-11-18(29-3)12-8-16/h5-12H,4,13-14H2,1-3H3,(H,25,26)