methyl 4-(butanoylamino)-3-(4-methoxyphenyl)-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 4-(butanoylamino)-3-(4-methoxyphenyl)-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 4-(butanoylamino)-3-(4-methoxyphenyl)-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-6,6-dimethyl-2-oxo-4-(1-oxobutylamino)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 4-(butanoylamino)-3-(4-methoxyphenyl)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-butyramido-2-keto-3-(4-methoxyphenyl)-6,6-dimethyl-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)NC1=C(C(=O)C(C(C1)(C)C)C(=O)OC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCC(=O)NC1=C(C(=O)C(C(C1)(C)C)C(=O)OC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H27NO5/c1-6-7-16(23)22-15-12-21(2,3)18(20(25)27-5)19(24)17(15)13-8-10-14(26-4)11-9-13/h8-11,18H,6-7,12H2,1-5H3,(H,22,23)