(7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H19Cl2NO5 MolecularWeight: 436.28526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19Cl2NO5/c22-16-3-1-14(2-4-16)20(25)24-7-5-15(6-8-24)21(26)27-11-13-9-17(23)19-18(10-13)28-12-29-19/h1-4,9-10,15H,5-8,11-12H2