1,3-benzodioxol-5-ylmethyl 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]isonipecotic acid piperonyl ester Formula: C20H18ClF3N2O4 MolecularWeight: 442.81613

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C20H18ClF3N2O4/c21-15-8-14(20(22,23)24)9-25-18(15)26-5-3-13(4-6-26)19(27)28-10-12-1-2-16-17(7-12)30-11-29-16/h1-2,7-9,13H,3-6,10-11H2