2-(3-bromanyl-1-adamantyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide Formula: C22H27BrF3NO3 MolecularWeight: 490.35389

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H27BrF3NO3/c1-29-4-5-30-18-3-2-16(22(24,25)26)7-17(18)27-19(28)12-20-8-14-6-15(9-20)11-21(23,10-14)13-20/h2-3,7,14-15H,4-6,8-13H2,1H3,(H,27,28)