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

Systemtic Name: methyl (1S)-5-butanoyl-4-butylimino-2,2-dimethyl-6-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1S)-5-butanoyl-4-butylimino-2,2-dimethyl-6-oxo-cyclohexanecarboxylate CAS Name: (1S)-4-butylimino-2,2-dimethyl-6-oxo-5-(1-oxobutyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S)-5-butanoyl-4-butylimino-2,2-dimethyl-6-oxocyclohexane-1-carboxylate Traditional Name: (1S)-4-butylimino-5-butyryl-6-keto-2,2-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C18H29NO4 MolecularWeight: 323.42716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4/c1-6-8-10-19-12-11-18(3,4)15(17(22)23-5)16(21)14(12)13(20)9-7-2/h14-15H,6-11H2,1-5H3/t14?,15-/m0/s1