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

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

Isomeric SMILES

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

InChI

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