1-[1,3-benzodioxol-5-yl-(3-methylpyridin-4-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-methylpyridin-4-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3-methyl-4-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-methyl-4-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-methylpyridin-4-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3-methyl-4-pyridyl)methyl]pipecolinic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O

InChI

InChI=1S/C20H22N2O4/c1-13-11-21-8-7-15(13)19(22-9-3-2-4-16(22)20(23)24)14-5-6-17-18(10-14)26-12-25-17/h5-8,10-11,16,19H,2-4,9,12H2,1H3,(H,23,24)