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

Systemtic Name: 2-[2-(4-methylphenoxy)propanoylamino]terephthalic acid Openeye Name: 2-[2-(4-methylphenoxy)propanoylamino]terephthalic acid CAS Name: 2-[[2-(4-methylphenoxy)-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[2-(4-methylphenoxy)propanoylamino]terephthalic acid Traditional Name: 2-[2-(4-methylphenoxy)propanoylamino]terephthalic acid Formula: C18H17NO6 MolecularWeight: 343.33068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6/c1-10-3-6-13(7-4-10)25-11(2)16(20)19-15-9-12(17(21)22)5-8-14(15)18(23)24/h3-9,11H,1-2H3,(H,19,20)(H,21,22)(H,23,24)