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

Systemtic Name: 5-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]isophthalic acid Formula: C18H16ClNO6 MolecularWeight: 377.77574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

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