3-(3-cyanophenoxy)-3-(2-oxidanylpropoxy)-2-phenyl-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-(3-cyanophenoxy)-3-(2-oxidanylpropoxy)-2-phenyl-2-propan-2-yloxy-propanoic acid Openeye Name: 3-(3-cyanophenoxy)-3-(2-hydroxypropoxy)-2-isopropoxy-2-phenyl-propanoic acid CAS Name: 3-(3-cyanophenoxy)-3-(2-hydroxypropoxy)-2-phenyl-2-propan-2-yloxypropanoic acid IUPAC Name: 3-(3-cyanophenoxy)-3-(2-hydroxypropoxy)-2-phenyl-2-propan-2-yloxypropanoic acid Traditional Name: 3-(3-cyanophenoxy)-3-(2-hydroxypropoxy)-2-isopropoxy-2-phenyl-propionic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c1-15(2)29-22(20(25)26,18-9-5-4-6-10-18)21(27-14-16(3)24)28-19-11-7-8-17(12-19)13-23/h4-12,15-16,21,24H,14H2,1-3H3,(H,25,26)