[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C18H15ClN2O5 MolecularWeight: 374.7751

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl

InChI

InChI=1S/C18H15ClN2O5/c19-12-2-3-13-14(8-12)21(5-6-22)17(20-13)9-24-18(23)11-1-4-15-16(7-11)26-10-25-15/h1-4,7-8,22H,5-6,9-10H2