[4-aminocarbonyl-2,6-bis(bromanyl)phenyl] 3,5,5-trimethylhexanoate

Systemtic Name: [4-aminocarbonyl-2,6-bis(bromanyl)phenyl] 3,5,5-trimethylhexanoate Openeye Name: (2,6-dibromo-4-carbamoyl-phenyl) 3,5,5-trimethylhexanoate CAS Name: 3,5,5-trimethylhexanoic acid (2,6-dibromo-4-carbamoylphenyl) ester IUPAC Name: (2,6-dibromo-4-carbamoylphenyl) 3,5,5-trimethylhexanoate Traditional Name: 3,5,5-trimethylhexanoic acid (2,6-dibromo-4-carbamoyl-phenyl) ester Formula: C16H21Br2NO3 MolecularWeight: 435.15084

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1=C(C=C(C=C1Br)C(=O)N)Br)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)OC1=C(C=C(C=C1Br)C(=O)N)Br)CC(C)(C)C

InChI

InChI=1S/C16H21Br2NO3/c1-9(8-16(2,3)4)5-13(20)22-14-11(17)6-10(15(19)21)7-12(14)18/h6-7,9H,5,8H2,1-4H3,(H2,19,21)