2-[3-(2-methylphenoxy)propanoylamino]terephthalic acid

Systemtic Name: 2-[3-(2-methylphenoxy)propanoylamino]terephthalic acid Openeye Name: 2-[3-(2-methylphenoxy)propanoylamino]terephthalic acid CAS Name: 2-[[3-(2-methylphenoxy)-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[3-(2-methylphenoxy)propanoylamino]terephthalic acid Traditional Name: 2-[3-(2-methylphenoxy)propanoylamino]terephthalic acid Formula: C18H17NO6 MolecularWeight: 343.33068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO6/c1-11-4-2-3-5-15(11)25-9-8-16(20)19-14-10-12(17(21)22)6-7-13(14)18(23)24/h2-7,10H,8-9H2,1H3,(H,19,20)(H,21,22)(H,23,24)