2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-3-hydroxy-butyric acid Formula: C13H16BrNO5 MolecularWeight: 346.17384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC(C(C)O)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC(C(C)O)C(=O)O)Br

InChI

InChI=1S/C13H16BrNO5/c1-7-3-4-10(9(14)5-7)20-6-11(17)15-12(8(2)16)13(18)19/h3-5,8,12,16H,6H2,1-2H3,(H,15,17)(H,18,19)