1-[1-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-ethyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-ethyl]piperidine-2-carboxylic acid Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2-(2-pyridyl)ethyl]piperidine-2-carboxylic acid CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2-(2-pyridinyl)ethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2-(2-pyridyl)ethyl]pipecolinic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(CC2=CC=CC=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(CC2=CC=CC=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O4/c23-20(24)16-6-2-4-10-22(16)17(12-15-5-1-3-9-21-15)14-7-8-18-19(11-14)26-13-25-18/h1,3,5,7-9,11,16-17H,2,4,6,10,12-13H2,(H,23,24)