3-[2-(4-methylphenyl)-3-oxidanidyl-4,5-diphenyl-imidazol-3-ium-1-yl]propanoic acid

Systemtic Name: 3-[2-(4-methylphenyl)-3-oxidanidyl-4,5-diphenyl-imidazol-3-ium-1-yl]propanoic acid Openeye Name: 3-[3-oxido-4,5-diphenyl-2-(p-tolyl)imidazol-3-ium-1-yl]propanoic acid CAS Name: 3-[2-(4-methylphenyl)-3-oxido-4,5-diphenyl-1-imidazol-3-iumyl]propanoic acid IUPAC Name: 3-[2-(4-methylphenyl)-3-oxido-4,5-diphenylimidazol-3-ium-1-yl]propanoic acid Traditional Name: 3-[3-oxido-4,5-diphenyl-2-(p-tolyl)imidazol-3-ium-1-yl]propionic acid Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(=C(N2CCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(=C(N2CCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H22N2O3/c1-18-12-14-21(15-13-18)25-26(17-16-22(28)29)23(19-8-4-2-5-9-19)24(27(25)30)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,28,29)