2-[3-(4-tert-butylphenoxy)propanoylamino]terephthalic acid

Systemtic Name: 2-[3-(4-tert-butylphenoxy)propanoylamino]terephthalic acid Openeye Name: 2-[3-(4-tert-butylphenoxy)propanoylamino]terephthalic acid CAS Name: 2-[[3-(4-tert-butylphenoxy)-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[3-(4-tert-butylphenoxy)propanoylamino]terephthalic acid Traditional Name: 2-[3-(4-tert-butylphenoxy)propanoylamino]terephthalic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-21(2,3)14-5-7-15(8-6-14)28-11-10-18(23)22-17-12-13(19(24)25)4-9-16(17)20(26)27/h4-9,12H,10-11H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)