2-[3-(4-methoxyphenoxy)propanoylamino]terephthalic acid

Systemtic Name: 2-[3-(4-methoxyphenoxy)propanoylamino]terephthalic acid Openeye Name: 2-[3-(4-methoxyphenoxy)propanoylamino]terephthalic acid CAS Name: 2-[[3-(4-methoxyphenoxy)-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[3-(4-methoxyphenoxy)propanoylamino]terephthalic acid Traditional Name: 2-[3-(4-methoxyphenoxy)propanoylamino]terephthalic acid Formula: C18H17NO7 MolecularWeight: 359.33008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO7/c1-25-12-3-5-13(6-4-12)26-9-8-16(20)19-15-10-11(17(21)22)2-7-14(15)18(23)24/h2-7,10H,8-9H2,1H3,(H,19,20)(H,21,22)(H,23,24)