3-(1H-imidazol-5-yl)-4,4,4-triphenyl-2-[(phenylmethylidene)amino]-2-[[1-(triphenylmethyl)imidazol-4-yl]methyl]butanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-4,4,4-triphenyl-2-[(phenylmethylidene)amino]-2-[[1-(triphenylmethyl)imidazol-4-yl]methyl]butanoic acid Openeye Name: 2-(benzylideneamino)-3-(1H-imidazol-5-yl)-4,4,4-triphenyl-2-[(1-tritylimidazol-4-yl)methyl]butanoic acid CAS Name: 3-(1H-imidazol-5-yl)-4,4,4-triphenyl-2-[(phenylmethylene)amino]-2-[[1-(triphenylmethyl)-4-imidazolyl]methyl]butanoic acid IUPAC Name: 2-(benzylideneamino)-3-(1H-imidazol-5-yl)-4,4,4-triphenyl-2-[(1-tritylimidazol-4-yl)methyl]butanoic acid Traditional Name: 2-(benzalamino)-3-(1H-imidazol-5-yl)-4,4,4-triphenyl-2-[(1-tritylimidazol-4-yl)methyl]butyric acid Formula: C55H45N5O2 MolecularWeight: 807.9781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=NC(CC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C(C6=CN=CN6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C=NC(CC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C(C6=CN=CN6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C(=O)O

InChI

InChI=1S/C55H45N5O2/c61-52(62)53(59-37-42-22-8-1-9-23-42,36-49-39-60(41-58-49)55(46-30-16-5-17-31-46,47-32-18-6-19-33-47)48-34-20-7-21-35-48)51(50-38-56-40-57-50)54(43-24-10-2-11-25-43,44-26-12-3-13-27-44)45-28-14-4-15-29-45/h1-35,37-41,51H,36H2,(H,56,57)(H,61,62)