[(1R)-1-cyano-1-pyridin-4-yl-ethyl] benzoate

Systemtic Name: [(1R)-1-cyano-1-pyridin-4-yl-ethyl] benzoate Openeye Name: [(1R)-1-cyano-1-(4-pyridyl)ethyl] benzoate CAS Name: benzoic acid [(1R)-1-cyano-1-pyridin-4-ylethyl] ester IUPAC Name: [(1R)-1-cyano-1-pyridin-4-ylethyl] benzoate Traditional Name: benzoic acid [(1R)-1-cyano-1-(4-pyridyl)ethyl] ester Formula: C15H12N2O2 MolecularWeight: 252.26798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC=NC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@](C#N)(C1=CC=NC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H12N2O2/c1-15(11-16,13-7-9-17-10-8-13)19-14(18)12-5-3-2-4-6-12/h2-10H,1H3/t15-/m0/s1