2-[[5-tert-butyl-2-(5-fluoranyl-2-methyl-phenyl)pyrazol-3-yl]amino]benzoic acid

Systemtic Name: 2-[[5-tert-butyl-2-(5-fluoranyl-2-methyl-phenyl)pyrazol-3-yl]amino]benzoic acid Openeye Name: 2-[[5-tert-butyl-2-(5-fluoro-2-methyl-phenyl)pyrazol-3-yl]amino]benzoic acid CAS Name: 2-[[5-tert-butyl-2-(5-fluoro-2-methylphenyl)-3-pyrazolyl]amino]benzoic acid IUPAC Name: 2-[[5-tert-butyl-2-(5-fluoro-2-methylphenyl)pyrazol-3-yl]amino]benzoic acid Traditional Name: 2-[[5-tert-butyl-2-(5-fluoro-2-methyl-phenyl)pyrazol-3-yl]amino]benzoic acid Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)N2C(=CC(=N2)C(C)(C)C)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)N2C(=CC(=N2)C(C)(C)C)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H22FN3O2/c1-13-9-10-14(22)11-17(13)25-19(12-18(24-25)21(2,3)4)23-16-8-6-5-7-15(16)20(26)27/h5-12,23H,1-4H3,(H,26,27)