2-[2-bromanyl-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-methoxy-phenoxy]ethanamide

Systemtic Name: 2-[2-bromanyl-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-methoxy-phenoxy]ethanamide Openeye Name: 2-[2-bromo-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-methoxy-phenoxy]acetamide CAS Name: 2-[2-bromo-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-methoxyphenoxy]acetamide IUPAC Name: 2-[2-bromo-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-methoxyphenoxy]acetamide Traditional Name: 2-[2-bromo-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-methoxy-phenoxy]acetamide Formula: C22H31BrN2O3 MolecularWeight: 451.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)Br)OCC(=O)N)OC)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)Br)OCC(=O)N)OC)C

InChI

InChI=1S/C22H31BrN2O3/c1-20-6-15-7-21(2,11-20)13-22(8-15,12-20)25-9-14-4-16(23)19(17(5-14)27-3)28-10-18(24)26/h4-5,15,25H,6-13H2,1-3H3,(H2,24,26)