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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6/c1-10-3-11(2)5-15(4-10)25-9-16(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)