2-(1,3-benzodioxol-5-yl)-3-[1-(triphenylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[1-(triphenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(1-tritylimidazol-4-yl)propanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[1-(triphenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(1-tritylimidazol-4-yl)propanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(1-tritylimidazol-4-yl)propionic acid Formula: C32H26N2O4 MolecularWeight: 502.55984

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C32H26N2O4/c35-31(36)28(23-16-17-29-30(18-23)38-22-37-29)19-27-20-34(21-33-27)32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-18,20-21,28H,19,22H2,(H,35,36)