ethyl 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanoate

Systemtic Name: ethyl 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanoate Openeye Name: ethyl 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetic acid ethyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C2=C3C=CC=NC3=NN2

Isomeric SMILES

CCOC(=O)C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C2=C3C=CC=NC3=NN2

InChI

InChI=1S/C24H31N3O3/c1-8-30-22(29)18(19-15-10-9-11-25-21(15)27-26-19)14-12-16(23(2,3)4)20(28)17(13-14)24(5,6)7/h9-13,18,28H,8H2,1-7H3,(H,25,26,27)