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

Systemtic Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-chloranyl-phenoxy]-N-tert-butyl-ethanamide hydrochloride Openeye Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-chloro-phenoxy]-N-tert-butyl-acetamide hydrochloride CAS Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide hydrochloride IUPAC Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide hydrochloride Traditional Name: N-tert-butyl-2-[4-chloro-2-[(piperonylamino)methyl]phenoxy]acetamide hydrochloride Formula: C21H26Cl2N2O4 MolecularWeight: 441.34814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4.ClH/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);1H