2-[4-[[1-(1-adamantyl)ethylamino]methyl]-2-bromanyl-6-ethoxy-phenoxy]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[[1-(1-adamantyl)ethylamino]methyl]-2-bromanyl-6-ethoxy-phenoxy]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[[1-(1-adamantyl)ethylamino]methyl]-2-bromo-6-ethoxy-phenoxy]-1-morpholino-ethanone CAS Name: 2-[4-[[1-(1-adamantyl)ethylamino]methyl]-2-bromo-6-ethoxyphenoxy]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[[1-(1-adamantyl)ethylamino]methyl]-2-bromo-6-ethoxyphenoxy]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[[1-(1-adamantyl)ethylamino]methyl]-2-bromo-6-ethoxy-phenoxy]-1-morpholino-ethanone Formula: C27H39BrN2O4 MolecularWeight: 535.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(C)C23CC4CC(C2)CC(C4)C3)Br)OCC(=O)N5CCOCC5

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC(C)C23CC4CC(C2)CC(C4)C3)Br)OCC(=O)N5CCOCC5

InChI

InChI=1S/C27H39BrN2O4/c1-3-33-24-12-22(11-23(28)26(24)34-17-25(31)30-4-6-32-7-5-30)16-29-18(2)27-13-19-8-20(14-27)10-21(9-19)15-27/h11-12,18-21,29H,3-10,13-17H2,1-2H3