4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloro-phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-chloroanilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chlorophenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-chloro-2-(piperonylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C23H23ClN2O6 MolecularWeight: 458.89152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C23H23ClN2O6/c24-16-6-7-18(26-21(27)14-2-4-15(5-3-14)23(29)30)17(10-16)22(28)25-11-13-1-8-19-20(9-13)32-12-31-19/h1,6-10,14-15H,2-5,11-12H2,(H,25,28)(H,26,27)(H,29,30)