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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(2-pyridyl)methyl]isonipecotic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=N4

InChI

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