1-aminocarbonyl-2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-aminocarbonyl-2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-phenyl-piperidine-4-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-carbamoyl-2-phenyl-piperidine-4-carboxylic acid CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1-carbamoyl-2-phenyl-4-piperidinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-carbamoyl-2-phenylpiperidine-4-carboxylic acid Traditional Name: 1-carbamoyl-2-phenyl-2-(piperonylcarbamoyl)isonipecotic acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(=O)O)(C2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

C1CN(C(CC1C(=O)O)(C2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C22H23N3O6/c23-21(29)25-9-8-15(19(26)27)11-22(25,16-4-2-1-3-5-16)20(28)24-12-14-6-7-17-18(10-14)31-13-30-17/h1-7,10,15H,8-9,11-13H2,(H2,23,29)(H,24,28)(H,26,27)