[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21BrN2O6 MolecularWeight: 417.25174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C(=C1)OC)Br)OC

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C(=C1)OC)Br)OC

InChI

InChI=1S/C16H21BrN2O6/c1-4-5-6-18-16(22)19-13(20)9-25-15(21)10-7-11(23-2)14(17)12(8-10)24-3/h7-8H,4-6,9H2,1-3H3,(H2,18,19,20,22)