[(1R)-1-cyanoethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: [(1R)-1-cyanoethyl] 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: 2-hydroxy-3,5-diisopropyl-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=CC(=C1O)C(C)C)C(C)C

InChI

InChI=1S/C16H21NO3/c1-9(2)12-6-13(10(3)4)15(18)14(7-12)16(19)20-11(5)8-17/h6-7,9-11,18H,1-5H3/t11-/m1/s1