[(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [(3R)-4-amino-3-cyano-2-oxo-pent-4-enyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [(3R)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)C(C#N)C(=C)N

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)[C@@H](C#N)C(=C)N

InChI

InChI=1S/C17H26N2O3/c1-11(19)14(9-18)15(20)10-22-16(21)12-5-7-13(8-6-12)17(2,3)4/h12-14H,1,5-8,10,19H2,2-4H3/t12?,13?,14-/m0/s1