N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-(3-oxidanyl-1-adamantyl)ethanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-(3-oxidanyl-1-adamantyl)ethanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide Formula: C22H30BrNO4 MolecularWeight: 452.3819

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CC23CC4CC(C2)CC(C4)(C3)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CC23CC4CC(C2)CC(C4)(C3)O)Br)OC

InChI

InChI=1S/C22H30BrNO4/c1-27-18-6-16(17(23)7-19(18)28-2)3-4-24-20(25)12-21-8-14-5-15(9-21)11-22(26,10-14)13-21/h6-7,14-15,26H,3-5,8-13H2,1-2H3,(H,24,25)