5-acetyloxy-2-[2-(2-butan-2-ylphenoxy)ethanoylamino]benzoic acid

Systemtic Name: 5-acetyloxy-2-[2-(2-butan-2-ylphenoxy)ethanoylamino]benzoic acid Openeye Name: 5-acetoxy-2-[[2-(2-sec-butylphenoxy)acetyl]amino]benzoic acid CAS Name: 5-acetyloxy-2-[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-acetyloxy-2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]benzoic acid Traditional Name: 5-acetoxy-2-[[2-(2-sec-butylphenoxy)acetyl]amino]benzoic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NC2=C(C=C(C=C2)OC(=O)C)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NC2=C(C=C(C=C2)OC(=O)C)C(=O)O

InChI

InChI=1S/C21H23NO6/c1-4-13(2)16-7-5-6-8-19(16)27-12-20(24)22-18-10-9-15(28-14(3)23)11-17(18)21(25)26/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,25,26)