3-tert-butyl-4-(2-ethoxyphenyl)-1,6-dimethyl-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 3-tert-butyl-4-(2-ethoxyphenyl)-1,6-dimethyl-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 3-tert-butyl-4-(2-ethoxyphenyl)-1,6-dimethyl-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 3-tert-butyl-4-(2-ethoxyphenyl)-1,6-dimethyl-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid IUPAC Name: 3-tert-butyl-4-(2-ethoxyphenyl)-1,6-dimethyl-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 3-tert-butyl-1,6-dimethyl-4-o-phenetyl-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3=C(NN(C3=NC(=C2C(=O)O)C)C)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C2C3=C(NN(C3=NC(=C2C(=O)O)C)C)C(C)(C)C

InChI

InChI=1S/C21H27N3O3/c1-7-27-14-11-9-8-10-13(14)16-15(20(25)26)12(2)22-19-17(16)18(21(3,4)5)23-24(19)6/h8-11,16,23H,7H2,1-6H3,(H,25,26)