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

Systemtic Name: methyl 3-butanoyl-4-[(2-hydroxyphenyl)amino]-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-4-(2-hydroxyanilino)-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(2-hydroxyanilino)-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-4-(2-hydroxyanilino)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-4-(2-hydroxyanilino)-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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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=CC=C2O

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=CC=C2O

InChI

InChI=1S/C20H25NO5/c1-5-8-15(23)16-13(21-12-9-6-7-10-14(12)22)11-20(2,3)17(18(16)24)19(25)26-4/h6-7,9-10,17,21-22H,5,8,11H2,1-4H3