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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

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