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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3-methyl-2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-methyl-2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3-methyl-2-pyridyl)methyl]pipecolinic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O

InChI

InChI=1S/C20H22N2O4/c1-13-5-4-9-21-18(13)19(22-10-3-2-6-15(22)20(23)24)14-7-8-16-17(11-14)26-12-25-16/h4-5,7-9,11,15,19H,2-3,6,10,12H2,1H3,(H,23,24)