(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-tert-butylcyclohexane-1-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h12-14,19H,5-8,10H2,1-4H3