[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: 2-hydroxy-3,5-diisopropyl-benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4/c1-10(2)13-6-14(11(3)4)18(23)15(7-13)19(24)25-9-17(22)16(8-20)12(5)21/h6-7,10-11,16,21,23H,9H2,1-5H3/t16-/m0/s1