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

Systemtic Name: tert-butyl 3-[[1-(ethoxymethyl)-4,5-bis(iodanyl)imidazol-2-yl]-oxidanyl-methyl]-6-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 6-benzyloxy-3-[[1-(ethoxymethyl)-4,5-diiodo-imidazol-2-yl]-hydroxy-methyl]indole-1-carboxylate CAS Name: 3-[[1-(ethoxymethyl)-4,5-diiodo-2-imidazolyl]-hydroxymethyl]-6-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-(ethoxymethyl)-4,5-diiodoimidazol-2-yl]-hydroxymethyl]-6-phenylmethoxyindole-1-carboxylate Traditional Name: 6-benzoxy-3-[[1-(ethoxymethyl)-4,5-diiodo-imidazol-2-yl]-hydroxy-methyl]indole-1-carboxylic acid tert-butyl ester Formula: C27H29I2N3O5 MolecularWeight: 729.3452

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(N=C1C(C2=CN(C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)O)I)I

Isomeric SMILES

CCOCN1C(=C(N=C1C(C2=CN(C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)O)I)I

InChI

InChI=1S/C27H29I2N3O5/c1-5-35-16-32-24(29)23(28)30-25(32)22(33)20-14-31(26(34)37-27(2,3)4)21-13-18(11-12-19(20)21)36-15-17-9-7-6-8-10-17/h6-14,22,33H,5,15-16H2,1-4H3