(4-cyanophenyl) 4-octylbenzoate

Systemtic Name: (4-cyanophenyl) 4-octylbenzoate Openeye Name: (4-cyanophenyl) 4-octylbenzoate CAS Name: 4-octylbenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-octylbenzoate Traditional Name: 4-octylbenzoic acid (4-cyanophenyl) ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H25NO2/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)22(24)25-21-15-11-19(17-23)12-16-21/h9-16H,2-8H2,1H3