2-[3-(2,5-dimethylphenoxy)propanoylamino]terephthalic acid

Systemtic Name: 2-[3-(2,5-dimethylphenoxy)propanoylamino]terephthalic acid Openeye Name: 2-[3-(2,5-dimethylphenoxy)propanoylamino]terephthalic acid CAS Name: 2-[[3-(2,5-dimethylphenoxy)-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[3-(2,5-dimethylphenoxy)propanoylamino]terephthalic acid Traditional Name: 2-[3-(2,5-dimethylphenoxy)propanoylamino]terephthalic acid Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C19H19NO6/c1-11-3-4-12(2)16(9-11)26-8-7-17(21)20-15-10-13(18(22)23)5-6-14(15)19(24)25/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)