phenethyl 4-cyanobenzoate

Systemtic Name: phenethyl 4-cyanobenzoate Openeye Name: phenethyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid phenethyl ester IUPAC Name: phenethyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid phenethyl ester Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H13NO2/c17-12-14-6-8-15(9-7-14)16(18)19-11-10-13-4-2-1-3-5-13/h1-9H,10-11H2