5-[2-(2,6-dimethylphenoxy)ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(2,6-dimethylphenoxy)ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(2,6-dimethylphenoxy)acetyl]amino]isophthalic acid Formula: C18H17NO6 MolecularWeight: 343.33068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6/c1-10-4-3-5-11(2)16(10)25-9-15(20)19-14-7-12(17(21)22)6-13(8-14)18(23)24/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)