(6-chloranyl-1,3-benzodioxol-5-yl)methyl 4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl 4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarboxylic acid (6-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (6-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)OCC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)OCC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C21H20ClN3O5/c22-15-10-19-18(29-12-30-19)9-13(15)11-28-21(27)24-7-5-14(6-8-24)25-17-4-2-1-3-16(17)23-20(25)26/h1-4,9-10,14H,5-8,11-12H2,(H,23,26)