[5-(hydroxymethyl)-2-propyl-3-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-2H-imidazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [5-(hydroxymethyl)-2-propyl-3-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-2H-imidazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [5-(hydroxymethyl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-(hydroxymethyl)-2-propyl-3-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-2H-imidazol-1-yl]methyl ester IUPAC Name: [5-(hydroxymethyl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-methylol-2-propyl-3-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]-4-imidazolin-1-yl]methyl ester Formula: C46H48N6O3 MolecularWeight: 732.91172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1N(C=C(N1COC(=O)C(C)(C)C)CO)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCCC1N(C=C(N1COC(=O)C(C)(C)C)CO)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C46H48N6O3/c1-5-17-42-50(31-39(32-53)51(42)33-55-44(54)45(2,3)4)30-34-26-28-35(29-27-34)40-24-15-16-25-41(40)43-47-48-49-52(43)46(36-18-9-6-10-19-36,37-20-11-7-12-21-37)38-22-13-8-14-23-38/h6-16,18-29,31,42,53H,5,17,30,32-33H2,1-4H3