O1-tert-butyl O2-ethyl 3-[[2-chloranyl-3-(ethoxymethyl)-5-iodanyl-imidazol-4-yl]-oxidanyl-methyl]indole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl 3-[[2-chloranyl-3-(ethoxymethyl)-5-iodanyl-imidazol-4-yl]-oxidanyl-methyl]indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl 3-[[2-chloro-3-(ethoxymethyl)-5-iodo-imidazol-4-yl]-hydroxy-methyl]indole-1,2-dicarboxylate CAS Name: 3-[[2-chloro-3-(ethoxymethyl)-5-iodo-4-imidazolyl]-hydroxymethyl]indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl 3-[[2-chloro-3-(ethoxymethyl)-5-iodoimidazol-4-yl]-hydroxymethyl]indole-1,2-dicarboxylate Traditional Name: 3-[[2-chloro-3-(ethoxymethyl)-5-iodo-imidazol-4-yl]-hydroxy-methyl]indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C23H27ClIN3O6 MolecularWeight: 603.83445

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(N=C1Cl)I)C(C2=C(N(C3=CC=CC=C32)C(=O)OC(C)(C)C)C(=O)OCC)O

Isomeric SMILES

CCOCN1C(=C(N=C1Cl)I)C(C2=C(N(C3=CC=CC=C32)C(=O)OC(C)(C)C)C(=O)OCC)O

InChI

InChI=1S/C23H27ClIN3O6/c1-6-32-12-27-17(19(25)26-21(27)24)18(29)15-13-10-8-9-11-14(13)28(16(15)20(30)33-7-2)22(31)34-23(3,4)5/h8-11,18,29H,6-7,12H2,1-5H3