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

Systemtic Name: 5-[(E)-but-1-enyl]-1-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]pyrrole-2-carboxylate Openeye Name: 5-[(E)-but-1-enyl]-1-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrrole-2-carboxylate CAS Name: 5-[(E)-but-1-enyl]-1-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-2-pyrrolecarboxylate IUPAC Name: 5-[(E)-but-1-enyl]-1-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrrole-2-carboxylate Traditional Name: 5-[(E)-but-1-enyl]-1-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]pyrrole-2-carboxylate Formula: C42H34N5O2- MolecularWeight: 640.75166

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=CC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)[O-]

Isomeric SMILES

CC/C=C/C1=CC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)[O-]

InChI

InChI=1S/C42H35N5O2/c1-2-3-21-36-28-29-39(41(48)49)46(36)30-31-24-26-32(27-25-31)37-22-13-14-23-38(37)40-43-44-45-47(40)42(33-15-7-4-8-16-33,34-17-9-5-10-18-34)35-19-11-6-12-20-35/h3-29H,2,30H2,1H3,(H,48,49)/p-1/b21-3+