(4-heptoxyphenyl) 4-cyanobenzoate

Systemtic Name: (4-heptoxyphenyl) 4-cyanobenzoate Openeye Name: (4-heptoxyphenyl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (4-heptoxyphenyl) ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23NO3/c1-2-3-4-5-6-15-24-19-11-13-20(14-12-19)25-21(23)18-9-7-17(16-22)8-10-18/h7-14H,2-6,15H2,1H3