2-[4-(4-bromanylphenoxy)butanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[4-(4-bromanylphenoxy)butanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[4-(4-bromophenoxy)butanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[4-(4-bromophenoxy)-1-oxobutyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[4-(4-bromophenoxy)butanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[4-(4-bromophenoxy)butanoylamino]-3-hydroxy-butyric acid Formula: C14H18BrNO5 MolecularWeight: 360.20042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CCCOC1=CC=C(C=C1)Br)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CCCOC1=CC=C(C=C1)Br)O

InChI

InChI=1S/C14H18BrNO5/c1-9(17)13(14(19)20)16-12(18)3-2-8-21-11-6-4-10(15)5-7-11/h4-7,9,13,17H,2-3,8H2,1H3,(H,16,18)(H,19,20)