2-[4-(3-methylphenoxy)butanoylamino]terephthalic acid

Systemtic Name: 2-[4-(3-methylphenoxy)butanoylamino]terephthalic acid Openeye Name: 2-[4-(3-methylphenoxy)butanoylamino]terephthalic acid CAS Name: 2-[[4-(3-methylphenoxy)-1-oxobutyl]amino]terephthalic acid IUPAC Name: 2-[4-(3-methylphenoxy)butanoylamino]terephthalic acid Traditional Name: 2-[4-(3-methylphenoxy)butanoylamino]terephthalic acid Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6/c1-12-4-2-5-14(10-12)26-9-3-6-17(21)20-16-11-13(18(22)23)7-8-15(16)19(24)25/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)(H,22,23)(H,24,25)