methyl (E)-2-bromanyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate

Systemtic Name: methyl (E)-2-bromanyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate Openeye Name: methyl (E)-2-bromo-4-(tert-butoxycarbonylamino)-5-methyl-hex-2-enoate CAS Name: (E)-2-bromo-5-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-2-bromo-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate Traditional Name: (E)-2-bromo-4-(tert-butoxycarbonylamino)-5-methyl-hex-2-enoic acid methyl ester Formula: C13H22BrNO4 MolecularWeight: 336.22208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=C(C(=O)OC)Br)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(/C=C(\C(=O)OC)/Br)NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H22BrNO4/c1-8(2)10(7-9(14)11(16)18-6)15-12(17)19-13(3,4)5/h7-8,10H,1-6H3,(H,15,17)/b9-7+