[(1S)-1-cyanopropyl] benzoate

Systemtic Name: [(1S)-1-cyanopropyl] benzoate Openeye Name: [(1S)-1-cyanopropyl] benzoate CAS Name: benzoic acid [(1S)-1-cyanopropyl] ester IUPAC Name: [(1S)-1-cyanopropyl] benzoate Traditional Name: benzoic acid [(1S)-1-cyanopropyl] ester Formula: C11H11NO2 MolecularWeight: 189.21054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC[C@@H](C#N)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H11NO2/c1-2-10(8-12)14-11(13)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3/t10-/m0/s1