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

Systemtic Name: methyl 3-butanoyl-6,6-dimethyl-4-[methyl(phenyl)amino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-6,6-dimethyl-4-(N-methylanilino)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6,6-dimethyl-4-(N-methylanilino)-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-6,6-dimethyl-4-(N-methylanilino)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-2-keto-6,6-dimethyl-4-(N-methylanilino)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-6-10-16(23)17-15(22(4)14-11-8-7-9-12-14)13-21(2,3)18(19(17)24)20(25)26-5/h7-9,11-12,18H,6,10,13H2,1-5H3