tert-butyl 2-[4-[[2-butyl-5-iodanyl-4-(2-methoxyethoxymethoxymethyl)imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[2-butyl-5-iodanyl-4-(2-methoxyethoxymethoxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-5-iodo-4-(2-methoxyethoxymethoxymethyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-5-iodo-4-(2-methoxyethoxymethoxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-5-iodo-4-(2-methoxyethoxymethoxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-5-iodo-4-(2-methoxyethoxymethoxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C30H39IN2O5 MolecularWeight: 634.54553

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)I)COCOCCOC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)I)COCOCCOC

InChI

InChI=1S/C30H39IN2O5/c1-6-7-12-27-32-26(20-37-21-36-18-17-35-5)28(31)33(27)19-22-13-15-23(16-14-22)24-10-8-9-11-25(24)29(34)38-30(2,3)4/h8-11,13-16H,6-7,12,17-21H2,1-5H3