2-[[5-tert-butyl-2-(2,6-dimethylphenyl)pyrazol-3-yl]amino]benzoic acid

Systemtic Name: 2-[[5-tert-butyl-2-(2,6-dimethylphenyl)pyrazol-3-yl]amino]benzoic acid Openeye Name: 2-[[5-tert-butyl-2-(2,6-dimethylphenyl)pyrazol-3-yl]amino]benzoic acid CAS Name: 2-[[5-tert-butyl-2-(2,6-dimethylphenyl)-3-pyrazolyl]amino]benzoic acid IUPAC Name: 2-[[5-tert-butyl-2-(2,6-dimethylphenyl)pyrazol-3-yl]amino]benzoic acid Traditional Name: 2-[[5-tert-butyl-2-(2,6-dimethylphenyl)pyrazol-3-yl]amino]benzoic acid Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c1-14-9-8-10-15(2)20(14)25-19(13-18(24-25)22(3,4)5)23-17-12-7-6-11-16(17)21(26)27/h6-13,23H,1-5H3,(H,26,27)