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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(phenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(phenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(phenyl)methyl]nipecotic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C20H21NO4/c22-20(23)16-7-4-10-21(12-16)19(14-5-2-1-3-6-14)15-8-9-17-18(11-15)25-13-24-17/h1-3,5-6,8-9,11,16,19H,4,7,10,12-13H2,(H,22,23)