[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H25BrN2O6 MolecularWeight: 469.3263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C20H25BrN2O6/c1-28-17-9-7-13(21)11-15(17)16(24)8-10-19(26)29-12-18(25)23-20(27)22-14-5-3-2-4-6-14/h7,9,11,14H,2-6,8,10,12H2,1H3,(H2,22,23,25,27)