2-[4-(4-tert-butylphenoxy)butanoylamino]terephthalic acid

Systemtic Name: 2-[4-(4-tert-butylphenoxy)butanoylamino]terephthalic acid Openeye Name: 2-[4-(4-tert-butylphenoxy)butanoylamino]terephthalic acid CAS Name: 2-[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]terephthalic acid IUPAC Name: 2-[4-(4-tert-butylphenoxy)butanoylamino]terephthalic acid Traditional Name: 2-[4-(4-tert-butylphenoxy)butanoylamino]terephthalic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c1-22(2,3)15-7-9-16(10-8-15)29-12-4-5-19(24)23-18-13-14(20(25)26)6-11-17(18)21(27)28/h6-11,13H,4-5,12H2,1-3H3,(H,23,24)(H,25,26)(H,27,28)