3-methyl-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-(1,1-dimethylpropyl)phenoxy]acetyl]amino]-3-methyl-benzoic acid CAS Name: 3-methyl-4-[[2-[4-(2-methylbutan-2-yl)phenoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzoic acid Traditional Name: 4-[[2-(4-tert-amylphenoxy)acetyl]amino]-3-methyl-benzoic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-5-21(3,4)16-7-9-17(10-8-16)26-13-19(23)22-18-11-6-15(20(24)25)12-14(18)2/h6-12H,5,13H2,1-4H3,(H,22,23)(H,24,25)