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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-pyridyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C21H24N2O4/c1-2-14-5-7-17(22-11-14)20(23-9-3-4-16(12-23)21(24)25)15-6-8-18-19(10-15)27-13-26-18/h5-8,10-11,16,20H,2-4,9,12-13H2,1H3,(H,24,25)