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

Systemtic Name: 1-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloro-phenyl]carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-chloroanilino]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chlorophenyl]carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-chloro-2-(piperonylcarbamoyl)phenyl]carbamoyl]isonipecotic acid Formula: C22H22ClN3O6 MolecularWeight: 459.87958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22ClN3O6/c23-15-2-3-17(25-22(30)26-7-5-14(6-8-26)21(28)29)16(10-15)20(27)24-11-13-1-4-18-19(9-13)32-12-31-18/h1-4,9-10,14H,5-8,11-12H2,(H,24,27)(H,25,30)(H,28,29)