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

Systemtic Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-3-oxidanylidene-propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-3-oxo-propyl]imidazole-1-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-3-oxopropyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-3-oxopropyl]imidazole-1-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-3-keto-propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN(C=N1)C(=O)OC(C)(C)C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C(CC1=CN(C=N1)C(=O)OC(C)(C)C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O6/c1-5-25-18(23)15(13-6-7-16-17(8-13)27-12-26-16)9-14-10-22(11-21-14)19(24)28-20(2,3)4/h6-8,10-11,15H,5,9,12H2,1-4H3