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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C20H22N2O4/c1-13-4-2-8-21-18(13)19(22-9-3-5-15(11-22)20(23)24)14-6-7-16-17(10-14)26-12-25-16/h2,4,6-8,10,15,19H,3,5,9,11-12H2,1H3,(H,23,24)