5-[2-(4-butan-2-ylphenoxy)ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(4-butan-2-ylphenoxy)ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(4-sec-butylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(4-sec-butylphenoxy)acetyl]amino]isophthalic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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