ethyl 2-bromanyl-3-cyclohexyl-1-(2-ethoxy-2-oxidanylidene-ethyl)pyrrolo[2,3-b]pyridine-6-carboxylate

Systemtic Name: ethyl 2-bromanyl-3-cyclohexyl-1-(2-ethoxy-2-oxidanylidene-ethyl)pyrrolo[2,3-b]pyridine-6-carboxylate Openeye Name: ethyl 2-bromo-3-cyclohexyl-1-(2-ethoxy-2-oxo-ethyl)pyrrolo[2,3-b]pyridine-6-carboxylate CAS Name: 2-bromo-3-cyclohexyl-1-(2-ethoxy-2-oxoethyl)-6-pyrrolo[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-bromo-3-cyclohexyl-1-(2-ethoxy-2-oxoethyl)pyrrolo[2,3-b]pyridine-6-carboxylate Traditional Name: 2-bromo-3-cyclohexyl-1-(2-ethoxy-2-keto-ethyl)pyrrolo[2,3-b]pyridine-6-carboxylic acid ethyl ester Formula: C20H25BrN2O4 MolecularWeight: 437.3275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=N2)C(=O)OCC)C(=C1Br)C3CCCCC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=N2)C(=O)OCC)C(=C1Br)C3CCCCC3

InChI

InChI=1S/C20H25BrN2O4/c1-3-26-16(24)12-23-18(21)17(13-8-6-5-7-9-13)14-10-11-15(22-19(14)23)20(25)27-4-2/h10-11,13H,3-9,12H2,1-2H3