4-[2-cyanoethyl(phenyl)amino]-3-fluoranyl-benzoic acid

Systemtic Name: 4-[2-cyanoethyl(phenyl)amino]-3-fluoranyl-benzoic acid Openeye Name: 4-[N-(2-cyanoethyl)anilino]-3-fluoro-benzoic acid CAS Name: 4-[N-(2-cyanoethyl)anilino]-3-fluorobenzoic acid IUPAC Name: 4-[N-(2-cyanoethyl)anilino]-3-fluorobenzoic acid Traditional Name: 4-[N-(2-cyanoethyl)anilino]-3-fluoro-benzoic acid Formula: C16H13FN2O2 MolecularWeight: 284.285023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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