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

Systemtic Name: ethyl 3-butanoyl-4-[(2-hydroxyphenyl)amino]-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5/c1-5-9-16(24)17-14(22-13-10-7-8-11-15(13)23)12-21(3,4)18(19(17)25)20(26)27-6-2/h7-8,10-11,18,22-23H,5-6,9,12H2,1-4H3