methyl 3-butanoyl-4-(butylamino)-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 3-butanoyl-4-(butylamino)-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-4-(butylamino)-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(butylamino)-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-4-(butylamino)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(butylamino)-3-butyryl-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C18H29NO4 MolecularWeight: 323.42716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=O)C(C(C1)(C)C)C(=O)OC)C(=O)CCC

Isomeric SMILES

CCCCNC1=C(C(=O)C(C(C1)(C)C)C(=O)OC)C(=O)CCC

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/h15,19H,6-11H2,1-5H3