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

Systemtic Name: methyl 3-butanoyl-4-[(3,4-dimethylphenyl)amino]-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-4-(3,4-dimethylanilino)-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(3,4-dimethylanilino)-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-4-(3,4-dimethylanilino)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-4-(3,4-dimethylanilino)-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-7-8-17(24)18-16(23-15-10-9-13(2)14(3)11-15)12-22(4,5)19(20(18)25)21(26)27-6/h9-11,19,23H,7-8,12H2,1-6H3