4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(4-bromo-2,6-dimethyl-phenoxy)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(4-bromo-2,6-dimethylphenoxy)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(4-bromo-2,6-dimethylphenoxy)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(4-bromo-2,6-dimethyl-phenoxy)ethylamino]-4-keto-butyric acid Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCNC(=O)CCC(=O)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCCNC(=O)CCC(=O)O)C)Br

InChI

InChI=1S/C14H18BrNO4/c1-9-7-11(15)8-10(2)14(9)20-6-5-16-12(17)3-4-13(18)19/h7-8H,3-6H2,1-2H3,(H,16,17)(H,18,19)