[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C16H21BrN2O6 MolecularWeight: 417.25174

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C(=C1)Br)OC)OCC

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C(=C1)Br)OC)OCC

InChI

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