diethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazole-4,5-dicarboxylate

Systemtic Name: diethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazole-4,5-dicarboxylate Openeye Name: diethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazole-4,5-dicarboxylate CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propylimidazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propylimidazole-4,5-dicarboxylate Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazole-4,5-dicarboxylic acid diethyl ester Formula: C20H23ClN2O6 MolecularWeight: 422.85942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H23ClN2O6/c1-4-7-16-22-17(19(24)26-5-2)18(20(25)27-6-3)23(16)10-12-8-14-15(9-13(12)21)29-11-28-14/h8-9H,4-7,10-11H2,1-3H3