[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] 6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-cyclopropyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=NC4=C3C=NN4C(C)C)C5CC5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=NC4=C3C=NN4C(C)C)C5CC5

InChI

InChI=1S/C29H30N4O4/c1-17(2)33-27-22(16-30-33)21(15-23(31-27)19-11-12-19)29(35)37-26(20-8-6-5-7-9-20)28(34)32-24-14-18(3)10-13-25(24)36-4/h5-10,13-17,19,26H,11-12H2,1-4H3,(H,32,34)