1-[bis(1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[bis(1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[bis(1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[bis(1,3-benzodioxol-5-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[bis(1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[bis(1,3-benzodioxol-5-yl)methyl]isonipecotic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21NO6/c23-21(24)13-5-7-22(8-6-13)20(14-1-3-16-18(9-14)27-11-25-16)15-2-4-17-19(10-15)28-12-26-17/h1-4,9-10,13,20H,5-8,11-12H2,(H,23,24)