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

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl 4-(6-methyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl 4-(6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate CAS Name: 4-(6-methyl-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-(6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-6-methyl-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (6-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)N2C3CCN(CC3)C(=O)OCC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)N2C3CCN(CC3)C(=O)OCC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C22H22ClN3O5/c1-13-2-3-17-18(8-13)26(21(27)24-17)15-4-6-25(7-5-15)22(28)29-11-14-9-19-20(10-16(14)23)31-12-30-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,24,27)