(5-ethanoyl-2-ethoxy-phenyl)methyl 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1,6-diphenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C31H27N3O4 MolecularWeight: 505.56378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C31H27N3O4/c1-4-37-28-16-15-23(21(3)35)17-24(28)19-38-31(36)26-18-27(22-11-7-5-8-12-22)32-30-29(26)20(2)33-34(30)25-13-9-6-10-14-25/h5-18H,4,19H2,1-3H3