5-[1-(3-cyanophenyl)ethylamino]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[1-(3-cyanophenyl)ethylamino]-2-fluoranyl-benzoic acid Openeye Name: 5-[1-(3-cyanophenyl)ethylamino]-2-fluoro-benzoic acid CAS Name: 5-[1-(3-cyanophenyl)ethylamino]-2-fluorobenzoic acid IUPAC Name: 5-[1-(3-cyanophenyl)ethylamino]-2-fluorobenzoic acid Traditional Name: 5-[1-(3-cyanophenyl)ethylamino]-2-fluoro-benzoic acid Formula: C16H13FN2O2 MolecularWeight: 284.285023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C#N)NC2=CC(=C(C=C2)F)C(=O)O

Isomeric SMILES

CC(C1=CC=CC(=C1)C#N)NC2=CC(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C16H13FN2O2/c1-10(12-4-2-3-11(7-12)9-18)19-13-5-6-15(17)14(8-13)16(20)21/h2-8,10,19H,1H3,(H,20,21)