3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pyrazolo[3,4-b]pyridin-1-yl-propanoic acid

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pyrazolo[3,4-b]pyridin-1-yl-propanoic acid Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-pyrazolo[3,4-b]pyridin-1-yl-propanoic acid CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(1-pyrazolo[3,4-b]pyridinyl)propanoic acid IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-pyrazolo[3,4-b]pyridin-1-ylpropanoic acid Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-pyrazolo[3,4-b]pyridin-1-yl-propionic acid Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C(=O)O)N2C3=C(C=CC=N3)C=N2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C(=O)O)N2C3=C(C=CC=N3)C=N2

InChI

InChI=1S/C23H29N3O3/c1-22(2,3)16-10-14(11-17(19(16)27)23(4,5)6)12-18(21(28)29)26-20-15(13-25-26)8-7-9-24-20/h7-11,13,18,27H,12H2,1-6H3,(H,28,29)