2-[2-bromanyl-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-ethoxy-phenoxy]-N-tert-butyl-ethanamide

Systemtic Name: 2-[2-bromanyl-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-ethoxy-phenoxy]-N-tert-butyl-ethanamide Openeye Name: 2-[2-bromo-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-ethoxy-phenoxy]-N-tert-butyl-acetamide CAS Name: 2-[2-bromo-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-ethoxyphenoxy]-N-tert-butylacetamide IUPAC Name: 2-[2-bromo-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-ethoxyphenoxy]-N-tert-butylacetamide Traditional Name: 2-[2-bromo-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-ethoxy-phenoxy]-N-tert-butyl-acetamide Formula: C27H41BrN2O3 MolecularWeight: 521.53004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41BrN2O3/c1-7-32-21-9-18(8-20(28)23(21)33-14-22(31)30-24(2,3)4)13-29-27-12-19-10-25(5,16-27)15-26(6,11-19)17-27/h8-9,19,29H,7,10-17H2,1-6H3,(H,30,31)