tert-butyl 3-[[1-(ethoxymethyl)-4,5-bis(iodanyl)imidazol-2-yl]-oxidanyl-methyl]-6-methoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[[1-(ethoxymethyl)-4,5-bis(iodanyl)imidazol-2-yl]-oxidanyl-methyl]-6-methoxy-indole-1-carboxylate Openeye Name: tert-butyl 3-[[1-(ethoxymethyl)-4,5-diiodo-imidazol-2-yl]-hydroxy-methyl]-6-methoxy-indole-1-carboxylate CAS Name: 3-[[1-(ethoxymethyl)-4,5-diiodo-2-imidazolyl]-hydroxymethyl]-6-methoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-(ethoxymethyl)-4,5-diiodoimidazol-2-yl]-hydroxymethyl]-6-methoxyindole-1-carboxylate Traditional Name: 3-[[1-(ethoxymethyl)-4,5-diiodo-imidazol-2-yl]-hydroxy-methyl]-6-methoxy-indole-1-carboxylic acid tert-butyl ester Formula: C21H25I2N3O5 MolecularWeight: 653.24924

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(N=C1C(C2=CN(C3=C2C=CC(=C3)OC)C(=O)OC(C)(C)C)O)I)I

Isomeric SMILES

CCOCN1C(=C(N=C1C(C2=CN(C3=C2C=CC(=C3)OC)C(=O)OC(C)(C)C)O)I)I

InChI

InChI=1S/C21H25I2N3O5/c1-6-30-11-26-18(23)17(22)24-19(26)16(27)14-10-25(20(28)31-21(2,3)4)15-9-12(29-5)7-8-13(14)15/h7-10,16,27H,6,11H2,1-5H3