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

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pyrazolo[3,4-b]pyridin-1-yl-butanoic acid Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-pyrazolo[3,4-b]pyridin-1-yl-butanoic acid CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(1-pyrazolo[3,4-b]pyridinyl)butanoic acid IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-pyrazolo[3,4-b]pyridin-1-ylbutanoic acid Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-pyrazolo[3,4-b]pyridin-1-yl-butyric acid Formula: C24H31N3O3 MolecularWeight: 409.52124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-14(19(22(29)30)27-21-15(13-26-27)9-8-10-25-21)16-11-17(23(2,3)4)20(28)18(12-16)24(5,6)7/h8-14,19,28H,1-7H3,(H,29,30)