methyl 1-[2-[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-(5-bromo-2-methoxyphenyl)-1,4-dioxobutoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(5-bromo-2-methoxyphenyl)-4-oxobutanoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(5-bromo-2-methoxy-phenyl)-4-keto-butanoyl]oxyacetyl]isonipecotic acid methyl ester Formula: C20H24BrNO7 MolecularWeight: 470.31106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C20H24BrNO7/c1-27-17-5-3-14(21)11-15(17)16(23)4-6-19(25)29-12-18(24)22-9-7-13(8-10-22)20(26)28-2/h3,5,11,13H,4,6-10,12H2,1-2H3