8-[4-(4-cyanophenyl)phenoxy]octanoic acid

Systemtic Name: 8-[4-(4-cyanophenyl)phenoxy]octanoic acid Openeye Name: 8-[4-(4-cyanophenyl)phenoxy]octanoic acid CAS Name: 8-[4-(4-cyanophenyl)phenoxy]octanoic acid IUPAC Name: 8-[4-(4-cyanophenyl)phenoxy]octanoic acid Traditional Name: 8-[4-(4-cyanophenyl)phenoxy]caprylic acid Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCCCCCCC(=O)O

InChI

InChI=1S/C21H23NO3/c22-16-17-7-9-18(10-8-17)19-11-13-20(14-12-19)25-15-5-3-1-2-4-6-21(23)24/h7-14H,1-6,15H2,(H,23,24)