pentyl 4-cyanobenzoate

Systemtic Name: pentyl 4-cyanobenzoate Openeye Name: pentyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid pentyl ester IUPAC Name: pentyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid amyl ester Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H15NO2/c1-2-3-4-9-16-13(15)12-7-5-11(10-14)6-8-12/h5-8H,2-4,9H2,1H3