6-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]hexanoic acid Openeye Name: 6-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]hexanoic acid CAS Name: 6-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]hexanoic acid Traditional Name: 6-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]hexanoic acid Formula: C18H26BrNO4 MolecularWeight: 400.30734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C18H26BrNO4/c1-18(2,3)14-11-13(19)8-9-15(14)24-12-16(21)20-10-6-4-5-7-17(22)23/h8-9,11H,4-7,10,12H2,1-3H3,(H,20,21)(H,22,23)