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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4

InChI

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