[1-(2,6-dimethylmorpholin-4-yl)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [1-(2,6-dimethylmorpholin-4-yl)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [1-(2,6-dimethyl-4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(2,6-dimethylmorpholino)-2-keto-1-methyl-ethyl] ester Formula: C20H28BrNO6 MolecularWeight: 458.34342

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)N2CC(OC(C2)C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)N2CC(OC(C2)C)C)OC

InChI

InChI=1S/C20H28BrNO6/c1-6-7-26-18-16(21)8-15(9-17(18)25-5)20(24)28-14(4)19(23)22-10-12(2)27-13(3)11-22/h8-9,12-14H,6-7,10-11H2,1-5H3