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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=NC=C2)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=NC=C2)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C19H20N2O4/c22-19(23)15-2-1-9-21(11-15)18(13-5-7-20-8-6-13)14-3-4-16-17(10-14)25-12-24-16/h3-8,10,15,18H,1-2,9,11-12H2,(H,22,23)