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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(=O)OC(=O)N)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(CC1C(=O)OC(=O)N)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

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