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

Systemtic Name: methyl 3-butanoyl-6,6-dimethyl-4-[(4-methylphenyl)amino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-6,6-dimethyl-4-(4-methylanilino)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6,6-dimethyl-4-(4-methylanilino)-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-6,6-dimethyl-4-(4-methylanilino)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-2-keto-6,6-dimethyl-4-(p-toluidino)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)NC2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-6-7-16(23)17-15(22-14-10-8-13(2)9-11-14)12-21(3,4)18(19(17)24)20(25)26-5/h8-11,18,22H,6-7,12H2,1-5H3