[(S)-cyano(phenyl)methyl] butanoate

Systemtic Name: [(S)-cyano(phenyl)methyl] butanoate Openeye Name: [(S)-cyano(phenyl)methyl] butanoate CAS Name: butanoic acid [(S)-cyano(phenyl)methyl] ester IUPAC Name: [(S)-cyano(phenyl)methyl] butanoate Traditional Name: butyric acid [(S)-cyano(phenyl)methyl] ester Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c1-2-6-12(14)15-11(9-13)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6H2,1H3/t11-/m1/s1