3-[3-[[[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-[(4-nitrophenyl)methyl]amino]methyl]phenoxy]benzoic acid

Systemtic Name: 3-[3-[[[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-[(4-nitrophenyl)methyl]amino]methyl]phenoxy]benzoic acid Openeye Name: 3-[3-[[[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-[(4-nitrophenyl)methyl]amino]methyl]phenoxy]benzoic acid CAS Name: 3-[3-[[[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]-[(4-nitrophenyl)methyl]amino]methyl]phenoxy]benzoic acid IUPAC Name: 3-[3-[[[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]-[(4-nitrophenyl)methyl]amino]methyl]phenoxy]benzoic acid Traditional Name: 3-[3-[[[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-(4-nitrobenzyl)amino]methyl]phenoxy]benzoic acid Formula: C44H36N4O5 MolecularWeight: 700.78044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(C4=CN=CN4)N(CC5=CC=C(C=C5)[N+](=O)[O-])CC6=CC(=CC=C6)OC7=CC=CC(=C7)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(C4=CN=CN4)N(CC5=CC=C(C=C5)[N+](=O)[O-])CC6=CC(=CC=C6)OC7=CC=CC(=C7)C(=O)O

InChI

InChI=1S/C44H36N4O5/c49-43(50)34-13-11-21-40(27-34)53-39-20-10-12-33(26-39)30-47(29-32-22-24-38(25-23-32)48(51)52)42(41-28-45-31-46-41)44(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h1-28,31,42H,29-30H2,(H,45,46)(H,49,50)