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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC(C)CC

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC(C)CC

InChI

InChI=1S/C18H29NO4/c1-7-9-13(20)14-12(19-11(3)8-2)10-18(4,5)15(16(14)21)17(22)23-6/h11,15,19H,7-10H2,1-6H3