tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-1-oxidanyl-3-oxidanylidene-propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-1-oxidanyl-3-oxidanylidene-propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-1-hydroxy-3-oxo-propyl]imidazole-1-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-1-hydroxy-3-oxopropyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-1-hydroxy-3-oxopropyl]imidazole-1-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-1-hydroxy-3-keto-propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC2=C(C=C1)OCO2)C(C3=CN(C=N3)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCOC(=O)C(C1=CC2=C(C=C1)OCO2)C(C3=CN(C=N3)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C20H24N2O7/c1-5-26-18(24)16(12-6-7-14-15(8-12)28-11-27-14)17(23)13-9-22(10-21-13)19(25)29-20(2,3)4/h6-10,16-17,23H,5,11H2,1-4H3