4-[11-(2-chloranyl-6-fluoranyl-phenyl)undec-10-ynylamino]benzoic acid

Systemtic Name: 4-[11-(2-chloranyl-6-fluoranyl-phenyl)undec-10-ynylamino]benzoic acid Openeye Name: 4-[11-(2-chloro-6-fluoro-phenyl)undec-10-ynylamino]benzoic acid CAS Name: 4-[11-(2-chloro-6-fluorophenyl)undec-10-ynylamino]benzoic acid IUPAC Name: 4-[11-(2-chloro-6-fluorophenyl)undec-10-ynylamino]benzoic acid Traditional Name: 4-[11-(2-chloro-6-fluoro-phenyl)undec-10-ynylamino]benzoic acid Formula: C24H27ClFNO2 MolecularWeight: 415.928083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C#CCCCCCCCCCNC2=CC=C(C=C2)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C#CCCCCCCCCCNC2=CC=C(C=C2)C(=O)O)F

InChI

InChI=1S/C24H27ClFNO2/c25-22-12-10-13-23(26)21(22)11-8-6-4-2-1-3-5-7-9-18-27-20-16-14-19(15-17-20)24(28)29/h10,12-17,27H,1-7,9,18H2,(H,28,29)