methyl (1S)-5-butanoyl-4-hexylimino-2,2-dimethyl-6-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S)-5-butanoyl-4-hexylimino-2,2-dimethyl-6-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1S)-5-butanoyl-4-hexylimino-2,2-dimethyl-6-oxo-cyclohexanecarboxylate CAS Name: (1S)-4-hexylimino-2,2-dimethyl-6-oxo-5-(1-oxobutyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S)-5-butanoyl-4-hexylimino-2,2-dimethyl-6-oxocyclohexane-1-carboxylate Traditional Name: (1S)-5-butyryl-4-hexylimino-6-keto-2,2-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C20H33NO4 MolecularWeight: 351.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C1CC(C(C(=O)C1C(=O)CCC)C(=O)OC)(C)C

Isomeric SMILES

CCCCCCN=C1CC([C@@H](C(=O)C1C(=O)CCC)C(=O)OC)(C)C

InChI

InChI=1S/C20H33NO4/c1-6-8-9-10-12-21-14-13-20(3,4)17(19(24)25-5)18(23)16(14)15(22)11-7-2/h16-17H,6-13H2,1-5H3/t16?,17-/m0/s1