3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[(3,5-dimethylisoxazol-4-yl)methylamino]-4-fluoro-benzoic acid CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methylamino]-4-fluorobenzoic acid IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorobenzoic acid Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methylamino]-4-fluoro-benzoic acid Formula: C13H13FN2O3 MolecularWeight: 264.252323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CNC2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CC1=C(C(=NO1)C)CNC2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C13H13FN2O3/c1-7-10(8(2)19-16-7)6-15-12-5-9(13(17)18)3-4-11(12)14/h3-5,15H,6H2,1-2H3,(H,17,18)