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

Systemtic Name: 3-[2-(4-chlorophenyl)-4,5-bis(4-methoxyphenyl)-3-oxidanidyl-imidazol-3-ium-1-yl]propanoic acid Openeye Name: 3-[2-(4-chlorophenyl)-4,5-bis(4-methoxyphenyl)-3-oxido-imidazol-3-ium-1-yl]propanoic acid CAS Name: 3-[2-(4-chlorophenyl)-4,5-bis(4-methoxyphenyl)-3-oxido-1-imidazol-3-iumyl]propanoic acid IUPAC Name: 3-[2-(4-chlorophenyl)-4,5-bis(4-methoxyphenyl)-3-oxidoimidazol-3-ium-1-yl]propanoic acid Traditional Name: 3-[2-(4-chlorophenyl)-4,5-bis(4-methoxyphenyl)-3-oxido-imidazol-3-ium-1-yl]propionic acid Formula: C26H23ClN2O5 MolecularWeight: 478.92422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C([N+](=C(N2CCC(=O)O)C3=CC=C(C=C3)Cl)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C([N+](=C(N2CCC(=O)O)C3=CC=C(C=C3)Cl)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H23ClN2O5/c1-33-21-11-5-17(6-12-21)24-25(18-7-13-22(34-2)14-8-18)29(32)26(28(24)16-15-23(30)31)19-3-9-20(27)10-4-19/h3-14H,15-16H2,1-2H3,(H,30,31)