methyl 1-[[3-[2-(2-bromanylethanoyl)-7-methoxy-quinolin-4-yl]oxycyclopentyl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylate

Systemtic Name: methyl 1-[[3-[2-(2-bromanylethanoyl)-7-methoxy-quinolin-4-yl]oxycyclopentyl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylate Openeye Name: methyl 1-[[3-[[2-(2-bromoacetyl)-7-methoxy-4-quinolyl]oxy]cyclopentanecarbonyl]amino]-2-vinyl-cyclopropanecarboxylate CAS Name: 1-[[[3-[[2-(2-bromo-1-oxoethyl)-7-methoxy-4-quinolinyl]oxy]cyclopentyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-[2-(2-bromoacetyl)-7-methoxyquinolin-4-yl]oxycyclopentanecarbonyl]amino]-2-ethenylcyclopropane-1-carboxylate Traditional Name: 1-[[3-[[2-(2-bromoacetyl)-7-methoxy-4-quinolyl]oxy]cyclopentanecarbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid methyl ester Formula: C25H27BrN2O6 MolecularWeight: 531.39568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)C(=O)CBr)OC3CCC(C3)C(=O)NC4(CC4C=C)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)C(=O)CBr)OC3CCC(C3)C(=O)NC4(CC4C=C)C(=O)OC

InChI

InChI=1S/C25H27BrN2O6/c1-4-15-12-25(15,24(31)33-3)28-23(30)14-5-6-17(9-14)34-22-11-20(21(29)13-26)27-19-10-16(32-2)7-8-18(19)22/h4,7-8,10-11,14-15,17H,1,5-6,9,12-13H2,2-3H3,(H,28,30)