2-[(triphenylmethyl)amino]-3-[[1-(triphenylmethyl)imidazol-4-yl]methoxy]propanoic acid

Systemtic Name: 2-[(triphenylmethyl)amino]-3-[[1-(triphenylmethyl)imidazol-4-yl]methoxy]propanoic acid Openeye Name: 2-(tritylamino)-3-[(1-tritylimidazol-4-yl)methoxy]propanoic acid CAS Name: 2-[(triphenylmethyl)amino]-3-[[1-(triphenylmethyl)-4-imidazolyl]methoxy]propanoic acid IUPAC Name: 2-(tritylamino)-3-[(1-tritylimidazol-4-yl)methoxy]propanoic acid Traditional Name: 2-(tritylamino)-3-[(1-tritylimidazol-4-yl)methoxy]propionic acid Formula: C45H39N3O3 MolecularWeight: 669.80946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(COCC4=CN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(COCC4=CN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O

InChI

InChI=1S/C45H39N3O3/c49-43(50)42(47-44(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37)33-51-32-41-31-48(34-46-41)45(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-31,34,42,47H,32-33H2,(H,49,50)