3-(4-bromanyl-2-cyano-phenoxy)-3-(2-oxidanylpropoxy)-2-phenyl-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-(4-bromanyl-2-cyano-phenoxy)-3-(2-oxidanylpropoxy)-2-phenyl-2-propan-2-yloxy-propanoic acid Openeye Name: 3-(4-bromo-2-cyano-phenoxy)-3-(2-hydroxypropoxy)-2-isopropoxy-2-phenyl-propanoic acid CAS Name: 3-(4-bromo-2-cyanophenoxy)-3-(2-hydroxypropoxy)-2-phenyl-2-propan-2-yloxypropanoic acid IUPAC Name: 3-(4-bromo-2-cyanophenoxy)-3-(2-hydroxypropoxy)-2-phenyl-2-propan-2-yloxypropanoic acid Traditional Name: 3-(4-bromo-2-cyano-phenoxy)-3-(2-hydroxypropoxy)-2-isopropoxy-2-phenyl-propionic acid Formula: C22H24BrNO6 MolecularWeight: 478.33306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(C1=CC=CC=C1)(C(OCC(C)O)OC2=C(C=C(C=C2)Br)C#N)C(=O)O

Isomeric SMILES

CC(C)OC(C1=CC=CC=C1)(C(OCC(C)O)OC2=C(C=C(C=C2)Br)C#N)C(=O)O

InChI

InChI=1S/C22H24BrNO6/c1-14(2)30-22(20(26)27,17-7-5-4-6-8-17)21(28-13-15(3)25)29-19-10-9-18(23)11-16(19)12-24/h4-11,14-15,21,25H,13H2,1-3H3,(H,26,27)