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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(pyridin-4-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(pyridin-4-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(pyridin-4-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(4-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=CC=NC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=NC=C2)C3=CC4=C(C=C3)OCO4

InChI

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