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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,4-di(propan-2-yl)benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2,4-diisopropylbenzoate CAS Name: 2,4-di(propan-2-yl)benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2,4-di(propan-2-yl)benzoate Traditional Name: 2,4-diisopropylbenzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H24N2O3 MolecularWeight: 328.40546

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3/c1-11(2)14-6-7-15(16(8-14)12(3)4)19(23)24-10-18(22)17(9-20)13(5)21/h6-8,11-12,17,21H,10H2,1-5H3/t17-/m1/s1