methyl 5-butanoyl-2-[(2-methoxyphenyl)amino]-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carboxylate

Systemtic Name: methyl 5-butanoyl-2-[(2-methoxyphenyl)amino]-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carboxylate Openeye Name: methyl 5-butanoyl-2-(2-methoxyanilino)-4,4-dimethyl-6-oxo-cyclohexene-1-carboxylate CAS Name: 2-(2-methoxyanilino)-4,4-dimethyl-6-oxo-5-(1-oxobutyl)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 5-butanoyl-2-(2-methoxyanilino)-4,4-dimethyl-6-oxocyclohexene-1-carboxylate Traditional Name: 5-butyryl-6-keto-4,4-dimethyl-2-(o-anisidino)cyclohexene-1-carboxylic acid methyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)C(=C(CC1(C)C)NC2=CC=CC=C2OC)C(=O)OC

Isomeric SMILES

CCCC(=O)C1C(=O)C(=C(CC1(C)C)NC2=CC=CC=C2OC)C(=O)OC

InChI

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