[2-acetamido-3-acetyloxy-3-(3-dodec-1-ynyl-2-fluoranyl-phenyl)propyl] ethanoate

Systemtic Name: [2-acetamido-3-acetyloxy-3-(3-dodec-1-ynyl-2-fluoranyl-phenyl)propyl] ethanoate Openeye Name: [2-acetamido-3-acetoxy-3-(3-dodec-1-ynyl-2-fluoro-phenyl)propyl] acetate CAS Name: acetic acid [2-acetamido-3-acetyloxy-3-(3-dodec-1-ynyl-2-fluorophenyl)propyl] ester IUPAC Name: [2-acetamido-3-acetyloxy-3-(3-dodec-1-ynyl-2-fluorophenyl)propyl] acetate Traditional Name: acetic acid [2-acetamido-3-acetoxy-3-(3-dodec-1-ynyl-2-fluoro-phenyl)propyl] ester Formula: C27H38FNO5 MolecularWeight: 475.592723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=C(C(=CC=C1)C(C(COC(=O)C)NC(=O)C)OC(=O)C)F

Isomeric SMILES

CCCCCCCCCCC#CC1=C(C(=CC=C1)C(C(COC(=O)C)NC(=O)C)OC(=O)C)F

InChI

InChI=1S/C27H38FNO5/c1-5-6-7-8-9-10-11-12-13-14-16-23-17-15-18-24(26(23)28)27(34-22(4)32)25(29-20(2)30)19-33-21(3)31/h15,17-18,25,27H,5-13,19H2,1-4H3,(H,29,30)