tert-butyl 3-(3-ethoxy-2-fluoranyl-1-oxidanyl-3-oxidanylidene-propyl)-5-phenylmethoxy-pyrrolo[2,3-c]pyridine-1-carboxylate

Systemtic Name: tert-butyl 3-(3-ethoxy-2-fluoranyl-1-oxidanyl-3-oxidanylidene-propyl)-5-phenylmethoxy-pyrrolo[2,3-c]pyridine-1-carboxylate Openeye Name: tert-butyl 5-benzyloxy-3-(3-ethoxy-2-fluoro-1-hydroxy-3-oxo-propyl)pyrrolo[2,3-c]pyridine-1-carboxylate CAS Name: 3-(3-ethoxy-2-fluoro-1-hydroxy-3-oxopropyl)-5-phenylmethoxy-1-pyrrolo[2,3-c]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-ethoxy-2-fluoro-1-hydroxy-3-oxopropyl)-5-phenylmethoxypyrrolo[2,3-c]pyridine-1-carboxylate Traditional Name: 5-benzoxy-3-(3-ethoxy-2-fluoro-1-hydroxy-3-keto-propyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid tert-butyl ester Formula: C24H27FN2O6 MolecularWeight: 458.479383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CN(C2=CN=C(C=C21)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)O)F

Isomeric SMILES

CCOC(=O)C(C(C1=CN(C2=CN=C(C=C21)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)O)F

InChI

InChI=1S/C24H27FN2O6/c1-5-31-22(29)20(25)21(28)17-13-27(23(30)33-24(2,3)4)18-12-26-19(11-16(17)18)32-14-15-9-7-6-8-10-15/h6-13,20-21,28H,5,14H2,1-4H3