4-fluoranyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid

Systemtic Name: 4-fluoranyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid Openeye Name: 4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid CAS Name: 4-fluoro-3-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]benzoic acid IUPAC Name: 4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid Traditional Name: 4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid Formula: C14H16FN3O2 MolecularWeight: 277.294143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C14H16FN3O2/c1-8-11(9(2)18(3)17-8)7-16-13-6-10(14(19)20)4-5-12(13)15/h4-6,16H,7H2,1-3H3,(H,19,20)