5-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]isophthalic acid Formula: C18H16ClNO6 MolecularWeight: 377.77574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16ClNO6/c1-9-3-14(4-10(2)16(9)19)26-8-15(21)20-13-6-11(17(22)23)5-12(7-13)18(24)25/h3-7H,8H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)