(2S)-2-[2-bromanyl-4-(2-methylbutan-2-yl)phenoxy]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[2-bromanyl-4-(2-methylbutan-2-yl)phenoxy]-2-phenyl-ethanoate Openeye Name: (2S)-2-[2-bromo-4-(1,1-dimethylpropyl)phenoxy]-2-phenyl-acetate CAS Name: (2S)-2-[2-bromo-4-(2-methylbutan-2-yl)phenoxy]-2-phenylacetate IUPAC Name: (2S)-2-[2-bromo-4-(2-methylbutan-2-yl)phenoxy]-2-phenylacetate Traditional Name: (2S)-2-(4-tert-amyl-2-bromo-phenoxy)-2-phenyl-acetate Formula: C19H20BrO3- MolecularWeight: 376.2643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC(C2=CC=CC=C2)C(=O)[O-])Br

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)O[C@@H](C2=CC=CC=C2)C(=O)[O-])Br

InChI

InChI=1S/C19H21BrO3/c1-4-19(2,3)14-10-11-16(15(20)12-14)23-17(18(21)22)13-8-6-5-7-9-13/h5-12,17H,4H2,1-3H3,(H,21,22)/p-1/t17-/m0/s1