3-[4-[3,3-bis(4-cyanophenyl)prop-2-enoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[3,3-bis(4-cyanophenyl)prop-2-enoxy]phenyl]propanoic acid Openeye Name: 3-[4-[3,3-bis(4-cyanophenyl)allyloxy]phenyl]propanoic acid CAS Name: 3-[4-[3,3-bis(4-cyanophenyl)prop-2-enoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[3,3-bis(4-cyanophenyl)prop-2-enoxy]phenyl]propanoic acid Traditional Name: 3-[4-[3,3-bis(4-cyanophenyl)allyloxy]phenyl]propionic acid Formula: C26H20N2O3 MolecularWeight: 408.4486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)OCC=C(C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)OCC=C(C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H20N2O3/c27-17-20-1-8-22(9-2-20)25(23-10-3-21(18-28)4-11-23)15-16-31-24-12-5-19(6-13-24)7-14-26(29)30/h1-6,8-13,15H,7,14,16H2,(H,29,30)