methyl 3-butanoyl-4-[(2,4-dimethoxyphenyl)amino]-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 3-butanoyl-4-[(2,4-dimethoxyphenyl)amino]-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-4-(2,4-dimethoxyanilino)-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(2,4-dimethoxyanilino)-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-4-(2,4-dimethoxyanilino)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-4-(2,4-dimethoxyanilino)-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C22H29NO6/c1-7-8-16(24)18-15(12-22(2,3)19(20(18)25)21(26)29-6)23-14-10-9-13(27-4)11-17(14)28-5/h9-11,19,23H,7-8,12H2,1-6H3