2-fluoranyl-5-[[4-(2-phenylethynyl)phenyl]methyl-propyl-amino]benzoic acid

Systemtic Name: 2-fluoranyl-5-[[4-(2-phenylethynyl)phenyl]methyl-propyl-amino]benzoic acid Openeye Name: 2-fluoro-5-[[4-(2-phenylethynyl)phenyl]methyl-propyl-amino]benzoic acid CAS Name: 2-fluoro-5-[[4-(2-phenylethynyl)phenyl]methyl-propylamino]benzoic acid IUPAC Name: 2-fluoro-5-[[4-(2-phenylethynyl)phenyl]methyl-propylamino]benzoic acid Traditional Name: 2-fluoro-5-[[4-(2-phenylethynyl)benzyl]-propyl-amino]benzoic acid Formula: C25H22FNO2 MolecularWeight: 387.446083

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C25H22FNO2/c1-2-16-27(22-14-15-24(26)23(17-22)25(28)29)18-21-12-10-20(11-13-21)9-8-19-6-4-3-5-7-19/h3-7,10-15,17H,2,16,18H2,1H3,(H,28,29)