1-[1-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(CC2=CC=CC=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(CC2=CC=CC=N2)C3=CC4=C(C=C3)OCO4

InChI

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