methyl 5-(2,2-dimethylpropylamino)-1-ethyl-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-(2,2-dimethylpropylamino)-1-ethyl-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(2,2-dimethylpropylamino)-1-ethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(2,2-dimethylpropylamino)-1-ethyl-3-[[oxo(3-oxolanyl)methyl]amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(2,2-dimethylpropylamino)-1-ethyl-3-(oxolane-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-ethyl-5-(neopentylamino)-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=CN=C21)NCC(C)(C)C)NC(=O)C3CCOC3)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC(=CN=C21)NCC(C)(C)C)NC(=O)C3CCOC3)C(=O)OC

InChI

InChI=1S/C21H30N4O4/c1-6-25-17(20(27)28-5)16(24-19(26)13-7-8-29-11-13)15-9-14(10-22-18(15)25)23-12-21(2,3)4/h9-10,13,23H,6-8,11-12H2,1-5H3,(H,24,26)