4-methylsulfonyl-2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanoylamino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]acetyl]amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[1-oxo-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]amino]butanoic acid Traditional Name: 4-mesyl-2-[[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]acetyl]amino]butyric acid Formula: C21H33NO6S MolecularWeight: 427.55482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C21H33NO6S/c1-20(2,3)14-21(4,5)15-7-9-16(10-8-15)28-13-18(23)22-17(19(24)25)11-12-29(6,26)27/h7-10,17H,11-14H2,1-6H3,(H,22,23)(H,24,25)