3-phenylpropyl 2-cyanoethanoate

Systemtic Name: 3-phenylpropyl 2-cyanoethanoate Openeye Name: 3-phenylpropyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid 3-phenylpropyl ester Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c13-9-8-12(14)15-10-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8,10H2