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

Systemtic Name: 5-[(3-cyanophenyl)methylamino]-2-fluoranyl-benzoic acid Openeye Name: 5-[(3-cyanophenyl)methylamino]-2-fluoro-benzoic acid CAS Name: 5-[(3-cyanophenyl)methylamino]-2-fluorobenzoic acid IUPAC Name: 5-[(3-cyanophenyl)methylamino]-2-fluorobenzoic acid Traditional Name: 5-[(3-cyanobenzyl)amino]-2-fluoro-benzoic acid Formula: C15H11FN2O2 MolecularWeight: 270.258443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=CC(=C(C=C2)F)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=CC(=C(C=C2)F)C(=O)O)C#N

InChI

InChI=1S/C15H11FN2O2/c16-14-5-4-12(7-13(14)15(19)20)18-9-11-3-1-2-10(6-11)8-17/h1-7,18H,9H2,(H,19,20)