3-[1-(3-cyanophenyl)ethylamino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[1-(3-cyanophenyl)ethylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[1-(3-cyanophenyl)ethylamino]-4-fluoro-benzoic acid CAS Name: 3-[1-(3-cyanophenyl)ethylamino]-4-fluorobenzoic acid IUPAC Name: 3-[1-(3-cyanophenyl)ethylamino]-4-fluorobenzoic acid Traditional Name: 3-[1-(3-cyanophenyl)ethylamino]-4-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=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

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

InChI

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