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

Systemtic Name: tert-butyl 3-(1-acetyloxy-3-ethoxy-2-fluoranyl-3-oxidanylidene-propyl)-5-phenylmethoxy-pyrrolo[2,3-c]pyridine-1-carboxylate Openeye Name: tert-butyl 3-(1-acetoxy-3-ethoxy-2-fluoro-3-oxo-propyl)-5-benzyloxy-pyrrolo[2,3-c]pyridine-1-carboxylate CAS Name: 3-(1-acetyloxy-3-ethoxy-2-fluoro-3-oxopropyl)-5-phenylmethoxy-1-pyrrolo[2,3-c]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1-acetyloxy-3-ethoxy-2-fluoro-3-oxopropyl)-5-phenylmethoxypyrrolo[2,3-c]pyridine-1-carboxylate Traditional Name: 3-(1-acetoxy-3-ethoxy-2-fluoro-3-keto-propyl)-5-benzoxy-pyrrolo[2,3-c]pyridine-1-carboxylic acid tert-butyl ester Formula: C26H29FN2O7 MolecularWeight: 500.516063

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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)OC(=O)C)F

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN2O7/c1-6-33-24(31)22(27)23(35-16(2)30)19-14-29(25(32)36-26(3,4)5)20-13-28-21(12-18(19)20)34-15-17-10-8-7-9-11-17/h7-14,22-23H,6,15H2,1-5H3