1-[1,3-benzodioxol-5-yl(phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(phenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(phenyl)methyl]pipecolinic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

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