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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(pyridin-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(pyridin-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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