(2S,5Z)-7-fluoranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]octa-5,7-dienoic acid

Systemtic Name: (2S,5Z)-7-fluoranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]octa-5,7-dienoic acid Openeye Name: (2S,5Z)-2-(tert-butoxycarbonylamino)-7-fluoro-octa-5,7-dienoic acid CAS Name: (2S,5Z)-7-fluoro-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]octa-5,7-dienoic acid IUPAC Name: (2S,5Z)-7-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]octa-5,7-dienoic acid Traditional Name: (2S,5Z)-2-(tert-butoxycarbonylamino)-7-fluoro-octa-5,7-dienoic acid Formula: C13H20FNO4 MolecularWeight: 273.300603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC=CC(=C)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC/C=C\C(=C)F)C(=O)O

InChI

InChI=1S/C13H20FNO4/c1-9(14)7-5-6-8-10(11(16)17)15-12(18)19-13(2,3)4/h5,7,10H,1,6,8H2,2-4H3,(H,15,18)(H,16,17)/b7-5-/t10-/m0/s1