2-[4-[(1-adamantylamino)methyl]-2-bromanyl-6-ethoxy-phenoxy]-N-tert-butyl-ethanamide hydrochloride

Systemtic Name: 2-[4-[(1-adamantylamino)methyl]-2-bromanyl-6-ethoxy-phenoxy]-N-tert-butyl-ethanamide hydrochloride Openeye Name: 2-[4-[(1-adamantylamino)methyl]-2-bromo-6-ethoxy-phenoxy]-N-tert-butyl-acetamide hydrochloride CAS Name: 2-[4-[(1-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]-N-tert-butylacetamide hydrochloride IUPAC Name: 2-[4-[(1-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]-N-tert-butylacetamide hydrochloride Traditional Name: 2-[4-[(1-adamantylamino)methyl]-2-bromo-6-ethoxy-phenoxy]-N-tert-butyl-acetamide hydrochloride Formula: C25H38BrClN2O3 MolecularWeight: 529.93782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC(=O)NC(C)(C)C.Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC(=O)NC(C)(C)C.Cl

InChI

InChI=1S/C25H37BrN2O3.ClH/c1-5-30-21-10-19(9-20(26)23(21)31-15-22(29)28-24(2,3)4)14-27-25-11-16-6-17(12-25)8-18(7-16)13-25;/h9-10,16-18,27H,5-8,11-15H2,1-4H3,(H,28,29);1H