(phenylmethyl) 4-cyano-3-oxidanyl-butanoate

Systemtic Name: (phenylmethyl) 4-cyano-3-oxidanyl-butanoate Openeye Name: benzyl 4-cyano-3-hydroxy-butanoate CAS Name: 4-cyano-3-hydroxybutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-cyano-3-hydroxybutanoate Traditional Name: 4-cyano-3-hydroxy-butyric acid benzyl ester Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c13-7-6-11(14)8-12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6,8-9H2