ethyl 2-acetamido-3-(3-dodec-1-ynyl-2-fluoranyl-phenyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-acetamido-3-(3-dodec-1-ynyl-2-fluoranyl-phenyl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-acetamido-3-(3-dodec-1-ynyl-2-fluoro-phenyl)-3-hydroxy-propanoate CAS Name: 2-acetamido-3-(3-dodec-1-ynyl-2-fluorophenyl)-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(3-dodec-1-ynyl-2-fluorophenyl)-3-hydroxypropanoate Traditional Name: 2-acetamido-3-(3-dodec-1-ynyl-2-fluoro-phenyl)-3-hydroxy-propionic acid ethyl ester Formula: C25H36FNO4 MolecularWeight: 433.556043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36FNO4/c1-4-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22(20)26)24(29)23(27-19(3)28)25(30)31-5-2/h15,17-18,23-24,29H,4-13H2,1-3H3,(H,27,28)