4-[12-(4-fluorophenyl)dodec-11-ynylamino]benzoic acid

Systemtic Name: 4-[12-(4-fluorophenyl)dodec-11-ynylamino]benzoic acid Openeye Name: 4-[12-(4-fluorophenyl)dodec-11-ynylamino]benzoic acid CAS Name: 4-[12-(4-fluorophenyl)dodec-11-ynylamino]benzoic acid IUPAC Name: 4-[12-(4-fluorophenyl)dodec-11-ynylamino]benzoic acid Traditional Name: 4-[12-(4-fluorophenyl)dodec-11-ynylamino]benzoic acid Formula: C25H30FNO2 MolecularWeight: 395.509603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C#CCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O)F

InChI

InChI=1S/C25H30FNO2/c26-23-16-12-21(13-17-23)11-9-7-5-3-1-2-4-6-8-10-20-27-24-18-14-22(15-19-24)25(28)29/h12-19,27H,1-8,10,20H2,(H,28,29)