diethyl 2-butoxy-6-[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]carbonyl-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-butoxy-6-[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]carbonyl-pyridine-3,5-dicarboxylate Openeye Name: diethyl 2-butoxy-6-[4-[2-(2-trityltetrazol-5-yl)phenyl]benzoyl]pyridine-3,5-dicarboxylate CAS Name: 2-butoxy-6-[oxo-[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-butoxy-6-[4-[2-(2-trityltetrazol-5-yl)phenyl]benzoyl]pyridine-3,5-dicarboxylate Traditional Name: 2-butoxy-6-[4-[2-(2-trityltetrazol-5-yl)phenyl]benzoyl]pyridine-3,5-dicarboxylic acid diethyl ester Formula: C48H43N5O6 MolecularWeight: 785.88492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=N1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C(=N1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C48H43N5O6/c1-4-7-31-59-45-41(47(56)58-6-3)32-40(46(55)57-5-2)42(49-45)43(54)34-29-27-33(28-30-34)38-25-17-18-26-39(38)44-50-52-53(51-44)48(35-19-11-8-12-20-35,36-21-13-9-14-22-36)37-23-15-10-16-24-37/h8-30,32H,4-7,31H2,1-3H3