ethyl 3-(3-cyanopropyl)benzoate

Systemtic Name: ethyl 3-(3-cyanopropyl)benzoate Openeye Name: ethyl 3-(3-cyanopropyl)benzoate CAS Name: 3-(3-cyanopropyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(3-cyanopropyl)benzoate Traditional Name: 3-(3-cyanopropyl)benzoic acid ethyl ester Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CCCC#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CCCC#N

InChI

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