2-[5,6-dimethoxy-1-[[1-(triphenylmethyl)imidazol-4-yl]methyl]indazol-3-yl]ethanoic acid

Systemtic Name: 2-[5,6-dimethoxy-1-[[1-(triphenylmethyl)imidazol-4-yl]methyl]indazol-3-yl]ethanoic acid Openeye Name: 2-[5,6-dimethoxy-1-[(1-tritylimidazol-4-yl)methyl]indazol-3-yl]acetic acid CAS Name: 2-[5,6-dimethoxy-1-[[1-(triphenylmethyl)-4-imidazolyl]methyl]-3-indazolyl]acetic acid IUPAC Name: 2-[5,6-dimethoxy-1-[(1-tritylimidazol-4-yl)methyl]indazol-3-yl]acetic acid Traditional Name: 2-[5,6-dimethoxy-1-[(1-tritylimidazol-4-yl)methyl]indazol-3-yl]acetic acid Formula: C34H30N4O4 MolecularWeight: 558.6264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NN2CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NN2CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CC(=O)O)OC

InChI

InChI=1S/C34H30N4O4/c1-41-31-18-28-29(19-33(39)40)36-38(30(28)20-32(31)42-2)22-27-21-37(23-35-27)34(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-18,20-21,23H,19,22H2,1-2H3,(H,39,40)