2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(fluoranylmethyl)-6-phenylmethoxy-hexanenitrile

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(fluoranylmethyl)-6-phenylmethoxy-hexanenitrile Openeye Name: 6-benzyloxy-2-(1,3-dioxoisoindolin-2-yl)-2-(fluoromethyl)hexanenitrile CAS Name: 2-(1,3-dioxo-2-isoindolyl)-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-2-(fluoromethyl)-6-phenylmethoxyhexanenitrile Traditional Name: 6-benzoxy-2-(fluoromethyl)-2-phthalimido-hexanenitrile Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCC(CF)(C#N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)COCCCCC(CF)(C#N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21FN2O3/c23-15-22(16-24,12-6-7-13-28-14-17-8-2-1-3-9-17)25-20(26)18-10-4-5-11-19(18)21(25)27/h1-5,8-11H,6-7,12-15H2