2-[2-(3,4-dimethoxyphenyl)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]terephthalic acid Traditional Name: 2-(homoveratroylamino)terephthalic acid Formula: C18H17NO7 MolecularWeight: 359.33008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO7/c1-25-14-6-3-10(7-15(14)26-2)8-16(20)19-13-9-11(17(21)22)4-5-12(13)18(23)24/h3-7,9H,8H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)