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

Systemtic Name: 3-[4,5-bis(4-methoxyphenyl)-3-oxidanidyl-2-propan-2-yl-imidazol-3-ium-1-yl]propanoic acid Openeye Name: 3-[2-isopropyl-4,5-bis(4-methoxyphenyl)-3-oxido-imidazol-3-ium-1-yl]propanoic acid CAS Name: 3-[4,5-bis(4-methoxyphenyl)-3-oxido-2-propan-2-yl-1-imidazol-3-iumyl]propanoic acid IUPAC Name: 3-[4,5-bis(4-methoxyphenyl)-3-oxido-2-propan-2-ylimidazol-3-ium-1-yl]propanoic acid Traditional Name: 3-[2-isopropyl-4,5-bis(4-methoxyphenyl)-3-oxido-imidazol-3-ium-1-yl]propionic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C(=C(N1CCC(=O)O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)[O-]

Isomeric SMILES

CC(C)C1=[N+](C(=C(N1CCC(=O)O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)[O-]

InChI

InChI=1S/C23H26N2O5/c1-15(2)23-24(14-13-20(26)27)21(16-5-9-18(29-3)10-6-16)22(25(23)28)17-7-11-19(30-4)12-8-17/h5-12,15H,13-14H2,1-4H3,(H,26,27)