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

Systemtic Name: tert-butyl 5-[[2-butyl-5-iodanyl-4-(2-methoxyethoxymethoxymethyl)imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[2-butyl-5-iodo-4-(2-methoxyethoxymethoxymethyl)imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-5-iodo-4-(2-methoxyethoxymethoxymethyl)-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[2-butyl-5-iodo-4-(2-methoxyethoxymethoxymethyl)imidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[[2-butyl-5-iodo-4-(2-methoxyethoxymethoxymethyl)imidazol-1-yl]methyl]-2-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=C3)C(=O)OC(C)(C)C)I)COCOCCOC

Isomeric SMILES

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

InChI

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