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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-pyridyl)methyl]isonipecotic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H24N2O4/c1-2-14-3-5-17(22-12-14)20(23-9-7-15(8-10-23)21(24)25)16-4-6-18-19(11-16)27-13-26-18/h3-6,11-12,15,20H,2,7-10,13H2,1H3,(H,24,25)