2-[[5-tert-butyl-2-(5-fluoranyl-2-methyl-phenyl)pyrazol-3-yl]amino]-6-fluoranyl-benzoic acid

Systemtic Name: 2-[[5-tert-butyl-2-(5-fluoranyl-2-methyl-phenyl)pyrazol-3-yl]amino]-6-fluoranyl-benzoic acid Openeye Name: 2-[[5-tert-butyl-2-(5-fluoro-2-methyl-phenyl)pyrazol-3-yl]amino]-6-fluoro-benzoic acid CAS Name: 2-[[5-tert-butyl-2-(5-fluoro-2-methylphenyl)-3-pyrazolyl]amino]-6-fluorobenzoic acid IUPAC Name: 2-[[5-tert-butyl-2-(5-fluoro-2-methylphenyl)pyrazol-3-yl]amino]-6-fluorobenzoic acid Traditional Name: 2-[[5-tert-butyl-2-(5-fluoro-2-methyl-phenyl)pyrazol-3-yl]amino]-6-fluoro-benzoic acid Formula: C21H21F2N3O2 MolecularWeight: 385.407146

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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=C(C(=CC=C3)F)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)N2C(=CC(=N2)C(C)(C)C)NC3=C(C(=CC=C3)F)C(=O)O

InChI

InChI=1S/C21H21F2N3O2/c1-12-8-9-13(22)10-16(12)26-18(11-17(25-26)21(2,3)4)24-15-7-5-6-14(23)19(15)20(27)28/h5-11,24H,1-4H3,(H,27,28)