4-[2-(3-bromanylphenoxy)ethanoylamino]butanoic acid

Systemtic Name: 4-[2-(3-bromanylphenoxy)ethanoylamino]butanoic acid Openeye Name: 4-[[2-(3-bromophenoxy)acetyl]amino]butanoic acid CAS Name: 4-[[2-(3-bromophenoxy)-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(3-bromophenoxy)acetyl]amino]butanoic acid Traditional Name: 4-[[2-(3-bromophenoxy)acetyl]amino]butyric acid Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCC(=O)NCCCC(=O)O

InChI

InChI=1S/C12H14BrNO4/c13-9-3-1-4-10(7-9)18-8-11(15)14-6-2-5-12(16)17/h1,3-4,7H,2,5-6,8H2,(H,14,15)(H,16,17)