ethyl 4-[11-(2-chloranyl-6-fluoranyl-phenyl)undec-10-ynylamino]benzoate

Systemtic Name: ethyl 4-[11-(2-chloranyl-6-fluoranyl-phenyl)undec-10-ynylamino]benzoate Openeye Name: ethyl 4-[11-(2-chloro-6-fluoro-phenyl)undec-10-ynylamino]benzoate CAS Name: 4-[11-(2-chloro-6-fluorophenyl)undec-10-ynylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[11-(2-chloro-6-fluorophenyl)undec-10-ynylamino]benzoate Traditional Name: 4-[11-(2-chloro-6-fluoro-phenyl)undec-10-ynylamino]benzoic acid ethyl ester Formula: C26H31ClFNO2 MolecularWeight: 443.981243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCC#CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCC#CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C26H31ClFNO2/c1-2-31-26(30)21-16-18-22(19-17-21)29-20-11-9-7-5-3-4-6-8-10-13-23-24(27)14-12-15-25(23)28/h12,14-19,29H,2-9,11,20H2,1H3