2-[2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetyl]amino]terephthalic acid Formula: C20H20ClNO6 MolecularWeight: 405.8289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO6/c1-10(2)14-8-15(21)11(3)6-17(14)28-9-18(23)22-16-7-12(19(24)25)4-5-13(16)20(26)27/h4-8,10H,9H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)