2-[4-(4-methylphenoxy)butanoylamino]terephthalic acid

Systemtic Name: 2-[4-(4-methylphenoxy)butanoylamino]terephthalic acid Openeye Name: 2-[4-(4-methylphenoxy)butanoylamino]terephthalic acid CAS Name: 2-[[4-(4-methylphenoxy)-1-oxobutyl]amino]terephthalic acid IUPAC Name: 2-[4-(4-methylphenoxy)butanoylamino]terephthalic acid Traditional Name: 2-[4-(4-methylphenoxy)butanoylamino]terephthalic acid Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6/c1-12-4-7-14(8-5-12)26-10-2-3-17(21)20-16-11-13(18(22)23)6-9-15(16)19(24)25/h4-9,11H,2-3,10H2,1H3,(H,20,21)(H,22,23)(H,24,25)