2-methyl-1-(3-methylbutyl)-5-propyl-4-[3-(trifluoromethyloxy)phenyl]pyrrole-3-carboxamide

Systemtic Name: 2-methyl-1-(3-methylbutyl)-5-propyl-4-[3-(trifluoromethyloxy)phenyl]pyrrole-3-carboxamide Openeye Name: 1-isopentyl-2-methyl-5-propyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide CAS Name: 2-methyl-1-(3-methylbutyl)-5-propyl-4-[3-(trifluoromethoxy)phenyl]-3-pyrrolecarboxamide IUPAC Name: 2-methyl-1-(3-methylbutyl)-5-propyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide Traditional Name: 1-isoamyl-2-methyl-5-propyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide Formula: C21H27F3N2O2 MolecularWeight: 396.44649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC(=CC=C2)OC(F)(F)F

Isomeric SMILES

CCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC(=CC=C2)OC(F)(F)F

InChI

InChI=1S/C21H27F3N2O2/c1-5-7-17-19(15-8-6-9-16(12-15)28-21(22,23)24)18(20(25)27)14(4)26(17)11-10-13(2)3/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H2,25,27)