ethyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-methanoyl-2-propyl-imidazole-4-carboxylate

Systemtic Name: ethyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-methanoyl-2-propyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-formyl-2-propyl-imidazole-4-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-formyl-2-propyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-formyl-2-propylimidazole-4-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-formyl-2-propyl-imidazole-4-carboxylic acid ethyl ester Formula: C18H19ClN2O5 MolecularWeight: 378.80686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5/c1-3-5-16-20-13(9-22)17(18(23)24-4-2)21(16)8-11-6-14-15(7-12(11)19)26-10-25-14/h6-7,9H,3-5,8,10H2,1-2H3