4-[2-[(4-cyano-2-fluoranyl-phenyl)amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(4-cyano-2-fluoranyl-phenyl)amino]ethyl]benzoic acid Openeye Name: 4-[2-(4-cyano-2-fluoro-anilino)ethyl]benzoic acid CAS Name: 4-[2-(4-cyano-2-fluoroanilino)ethyl]benzoic acid IUPAC Name: 4-[2-(4-cyano-2-fluoroanilino)ethyl]benzoic acid Traditional Name: 4-[2-(4-cyano-2-fluoro-anilino)ethyl]benzoic acid Formula: C16H13FN2O2 MolecularWeight: 284.285023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=C(C=C(C=C2)C#N)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNC2=C(C=C(C=C2)C#N)F)C(=O)O

InChI

InChI=1S/C16H13FN2O2/c17-14-9-12(10-18)3-6-15(14)19-8-7-11-1-4-13(5-2-11)16(20)21/h1-6,9,19H,7-8H2,(H,20,21)