2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]amino]terephthalic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6/c1-11(2)15-7-5-14(8-12(15)3)27-10-18(22)21-17-9-13(19(23)24)4-6-16(17)20(25)26/h4-9,11H,10H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)