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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(2-pyridyl)methyl]nipecotic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C19H20N2O4/c22-19(23)14-4-3-9-21(11-14)18(15-5-1-2-8-20-15)13-6-7-16-17(10-13)25-12-24-16/h1-2,5-8,10,14,18H,3-4,9,11-12H2,(H,22,23)