3-chloranyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]adamantane-1-carboxamide Formula: C21H25ClF3NO3 MolecularWeight: 431.87631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H25ClF3NO3/c1-28-4-5-29-17-3-2-15(21(23,24)25)7-16(17)26-18(27)19-8-13-6-14(9-19)11-20(22,10-13)12-19/h2-3,7,13-14H,4-6,8-12H2,1H3,(H,26,27)