tert-butyl 3-[1-(ethoxymethyl)-4,5-bis(iodanyl)imidazol-2-yl]carbonylindole-1-carboxylate

Systemtic Name: tert-butyl 3-[1-(ethoxymethyl)-4,5-bis(iodanyl)imidazol-2-yl]carbonylindole-1-carboxylate Openeye Name: tert-butyl 3-[1-(ethoxymethyl)-4,5-diiodo-imidazole-2-carbonyl]indole-1-carboxylate CAS Name: 3-[[1-(ethoxymethyl)-4,5-diiodo-2-imidazolyl]-oxomethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(ethoxymethyl)-4,5-diiodoimidazole-2-carbonyl]indole-1-carboxylate Traditional Name: 3-[1-(ethoxymethyl)-4,5-diiodo-imidazole-2-carbonyl]indole-1-carboxylic acid tert-butyl ester Formula: C20H21I2N3O4 MolecularWeight: 621.20738

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(N=C1C(=O)C2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)I)I

Isomeric SMILES

CCOCN1C(=C(N=C1C(=O)C2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)I)I

InChI

InChI=1S/C20H21I2N3O4/c1-5-28-11-25-17(22)16(21)23-18(25)15(26)13-10-24(19(27)29-20(2,3)4)14-9-7-6-8-12(13)14/h6-10H,5,11H2,1-4H3