[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-(4-tert-butylphenoxy)propanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-(4-tert-butylphenoxy)propanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2R)-2-(4-tert-butylphenoxy)propanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R)-2-(4-tert-butylphenoxy)propanoate Traditional Name: (2R)-2-(4-tert-butylphenoxy)propionic acid [(3S)-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(=O)OCC(=O)C(C#N)C(=N)C)OC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)OCC(=O)[C@H](C#N)C(=N)C)OC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C19H24N2O4/c1-12(21)16(10-20)17(22)11-24-18(23)13(2)25-15-8-6-14(7-9-15)19(3,4)5/h6-9,13,16,21H,11H2,1-5H3/t13-,16-/m1/s1