3-methyl-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[4-(2-phenylpropan-2-yl)phenoxy]acetyl]amino]butanoic acid Traditional Name: 2-[[2-(4-cumylphenoxy)acetyl]amino]-3-methyl-butyric acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)COC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)COC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO4/c1-15(2)20(21(25)26)23-19(24)14-27-18-12-10-17(11-13-18)22(3,4)16-8-6-5-7-9-16/h5-13,15,20H,14H2,1-4H3,(H,23,24)(H,25,26)