5-methanoyl-1-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]pyrrole-2-carboxylate

Systemtic Name: 5-methanoyl-1-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]pyrrole-2-carboxylate Openeye Name: 5-formyl-1-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrrole-2-carboxylate CAS Name: 5-formyl-1-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-2-pyrrolecarboxylate IUPAC Name: 5-formyl-1-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrrole-2-carboxylate Traditional Name: 5-formyl-1-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]pyrrole-2-carboxylate Formula: C39H28N5O3- MolecularWeight: 614.67132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=NN=N4)C5=CC=CC=C5C6=CC=C(C=C6)CN7C(=CC=C7C(=O)[O-])C=O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=NN=N4)C5=CC=CC=C5C6=CC=C(C=C6)CN7C(=CC=C7C(=O)[O-])C=O

InChI

InChI=1S/C39H29N5O3/c45-27-33-24-25-36(38(46)47)43(33)26-28-20-22-29(23-21-28)34-18-10-11-19-35(34)37-40-41-42-44(37)39(30-12-4-1-5-13-30,31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-25,27H,26H2,(H,46,47)/p-1