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

Systemtic Name: methyl 3-butanoyl-4-[(2-methoxyphenyl)amino]-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-4-(2-methoxyanilino)-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(2-methoxyanilino)-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-4-(2-methoxyanilino)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-2-keto-6,6-dimethyl-4-(o-anisidino)cyclohex-3-ene-1-carboxylic acid methyl 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)OC)(C)C)NC2=CC=CC=C2OC

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=CC=C2OC

InChI

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