N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromanyl-2-fluoranyl-phenoxy)-N-cyclopentyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromanyl-2-fluoranyl-phenoxy)-N-cyclopentyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-fluoro-phenoxy)-N-cyclopentyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-fluorophenoxy)-N-cyclopentylacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-fluorophenoxy)-N-cyclopentylacetamide Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-N-cyclopentyl-N-piperonyl-acetamide Formula: C21H21BrFNO4 MolecularWeight: 450.298143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=O)COC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=O)COC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H21BrFNO4/c22-15-6-8-18(17(23)10-15)26-12-21(25)24(16-3-1-2-4-16)11-14-5-7-19-20(9-14)28-13-27-19/h5-10,16H,1-4,11-13H2