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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C21H21NO6/c23-21(24)15-2-1-7-22(10-15)20(13-3-5-16-18(8-13)27-11-25-16)14-4-6-17-19(9-14)28-12-26-17/h3-6,8-9,15,20H,1-2,7,10-12H2,(H,23,24)