2-[[2-(3-methoxy-2-methyl-phenyl)-5-(2-methylbutan-2-yl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2-(3-methoxy-2-methyl-phenyl)-5-(2-methylbutan-2-yl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid Openeye Name: 2-[[5-(1,1-dimethylpropyl)-2-(3-methoxy-2-methyl-phenyl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid CAS Name: 2-[[2-(3-methoxy-2-methylphenyl)-5-(2-methylbutan-2-yl)-3-pyrazolyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[[2-(3-methoxy-2-methylphenyl)-5-(2-methylbutan-2-yl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid Traditional Name: 2-[[5-tert-amyl-2-(3-methoxy-2-methyl-phenyl)pyrazol-3-yl]amino]nicotinic acid Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=NN(C(=C1)NC2=C(C=CC=N2)C(=O)O)C3=C(C(=CC=C3)OC)C

Isomeric SMILES

CCC(C)(C)C1=NN(C(=C1)NC2=C(C=CC=N2)C(=O)O)C3=C(C(=CC=C3)OC)C

InChI

InChI=1S/C22H26N4O3/c1-6-22(3,4)18-13-19(24-20-15(21(27)28)9-8-12-23-20)26(25-18)16-10-7-11-17(29-5)14(16)2/h7-13H,6H2,1-5H3,(H,23,24)(H,27,28)