5-[[3-(3-bromanylphenoxy)propanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[3-(3-bromanylphenoxy)propanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[3-(3-bromophenoxy)propanoylamino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[3-(3-bromophenoxy)-1-oxopropyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[3-(3-bromophenoxy)propanoylamino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[3-(3-bromophenoxy)propanoylamino]methyl]-2-methoxy-benzoic acid Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCOC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCOC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C18H18BrNO5/c1-24-16-6-5-12(9-15(16)18(22)23)11-20-17(21)7-8-25-14-4-2-3-13(19)10-14/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)(H,22,23)