2-[4-[(1-adamantylamino)methyl]-5-bromanyl-2-ethoxy-phenoxy]ethanamide

Systemtic Name: 2-[4-[(1-adamantylamino)methyl]-5-bromanyl-2-ethoxy-phenoxy]ethanamide Openeye Name: 2-[4-[(1-adamantylamino)methyl]-5-bromo-2-ethoxy-phenoxy]acetamide CAS Name: 2-[4-[(1-adamantylamino)methyl]-5-bromo-2-ethoxyphenoxy]acetamide IUPAC Name: 2-[4-[(1-adamantylamino)methyl]-5-bromo-2-ethoxyphenoxy]acetamide Traditional Name: 2-[4-[(1-adamantylamino)methyl]-5-bromo-2-ethoxy-phenoxy]acetamide Formula: C21H29BrN2O3 MolecularWeight: 437.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC(=O)N

InChI

InChI=1S/C21H29BrN2O3/c1-2-26-18-6-16(17(22)7-19(18)27-12-20(23)25)11-24-21-8-13-3-14(9-21)5-15(4-13)10-21/h6-7,13-15,24H,2-5,8-12H2,1H3,(H2,23,25)