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

Systemtic Name: methyl 3-butanoyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-4-(homoveratrylamino)-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C24H33NO6 MolecularWeight: 431.52192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C24H33NO6/c1-7-8-17(26)20-16(14-24(2,3)21(22(20)27)23(28)31-6)25-12-11-15-9-10-18(29-4)19(13-15)30-5/h9-10,13,21,25H,7-8,11-12,14H2,1-6H3