(E)-5-[(2-bromanyl-5-fluoranyl-phenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoate

Systemtic Name: (E)-5-[(2-bromanyl-5-fluoranyl-phenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoate Openeye Name: (E)-5-[(2-bromo-5-fluoro-phenyl)methyl-tert-butoxycarbonyl-amino]pent-2-enoate CAS Name: (E)-5-[(2-bromo-5-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pentenoate IUPAC Name: (E)-5-[(2-bromo-5-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoate Traditional Name: (E)-5-[(2-bromo-5-fluoro-benzyl)-tert-butoxycarbonyl-amino]pent-2-enoate Formula: C17H20BrFNO4- MolecularWeight: 401.247403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC=CC(=O)[O-])CC1=C(C=CC(=C1)F)Br

Isomeric SMILES

CC(C)(C)OC(=O)N(CC/C=C/C(=O)[O-])CC1=C(C=CC(=C1)F)Br

InChI

InChI=1S/C17H21BrFNO4/c1-17(2,3)24-16(23)20(9-5-4-6-15(21)22)11-12-10-13(19)7-8-14(12)18/h4,6-8,10H,5,9,11H2,1-3H3,(H,21,22)/p-1/b6-4+