2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-bromanyl-phenoxy]-N-tert-butyl-ethanamide

Systemtic Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-bromanyl-phenoxy]-N-tert-butyl-ethanamide Openeye Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-bromo-phenoxy]-N-tert-butyl-acetamide CAS Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-bromophenoxy]-N-tert-butylacetamide IUPAC Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-bromophenoxy]-N-tert-butylacetamide Traditional Name: 2-[4-bromo-2-[(piperonylamino)methyl]phenoxy]-N-tert-butyl-acetamide Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)Br)CNCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)Br)CNCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H25BrN2O4/c1-21(2,3)24-20(25)12-26-17-7-5-16(22)9-15(17)11-23-10-14-4-6-18-19(8-14)28-13-27-18/h4-9,23H,10-13H2,1-3H3,(H,24,25)