2-[3-(3-bromanylphenoxy)propanoylamino]terephthalic acid

Systemtic Name: 2-[3-(3-bromanylphenoxy)propanoylamino]terephthalic acid Openeye Name: 2-[3-(3-bromophenoxy)propanoylamino]terephthalic acid CAS Name: 2-[[3-(3-bromophenoxy)-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[3-(3-bromophenoxy)propanoylamino]terephthalic acid Traditional Name: 2-[3-(3-bromophenoxy)propanoylamino]terephthalic acid Formula: C17H14BrNO6 MolecularWeight: 408.20016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H14BrNO6/c18-11-2-1-3-12(9-11)25-7-6-15(20)19-14-8-10(16(21)22)4-5-13(14)17(23)24/h1-5,8-9H,6-7H2,(H,19,20)(H,21,22)(H,23,24)