(2-aminocarbonyl-4-bromanyl-6-fluoranyl-phenyl) 3,5,5-trimethylhexanoate

Systemtic Name: (2-aminocarbonyl-4-bromanyl-6-fluoranyl-phenyl) 3,5,5-trimethylhexanoate Openeye Name: (4-bromo-2-carbamoyl-6-fluoro-phenyl) 3,5,5-trimethylhexanoate CAS Name: 3,5,5-trimethylhexanoic acid (4-bromo-2-carbamoyl-6-fluorophenyl) ester IUPAC Name: (4-bromo-2-carbamoyl-6-fluorophenyl) 3,5,5-trimethylhexanoate Traditional Name: 3,5,5-trimethylhexanoic acid (4-bromo-2-carbamoyl-6-fluoro-phenyl) ester Formula: C16H21BrFNO3 MolecularWeight: 374.245243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1=C(C=C(C=C1C(=O)N)Br)F)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)OC1=C(C=C(C=C1C(=O)N)Br)F)CC(C)(C)C

InChI

InChI=1S/C16H21BrFNO3/c1-9(8-16(2,3)4)5-13(20)22-14-11(15(19)21)6-10(17)7-12(14)18/h6-7,9H,5,8H2,1-4H3,(H2,19,21)