N-(1,3-benzodioxol-5-yl)-1-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-bromo-4-methyl-phenoxy)acetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-bromo-4-methylphenoxy)acetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-bromo-4-methyl-phenoxy)acetyl]isonipecotamide Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C22H23BrN2O5/c1-14-2-4-18(17(23)10-14)28-12-21(26)25-8-6-15(7-9-25)22(27)24-16-3-5-19-20(11-16)30-13-29-19/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,24,27)