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

Systemtic Name: methyl 1-ethyl-5-(3-methylbutylamino)-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-ethyl-5-(isopentylamino)-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 1-ethyl-5-(3-methylbutylamino)-3-[[oxo(3-oxolanyl)methyl]amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-5-(3-methylbutylamino)-3-(oxolane-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-ethyl-5-(isoamylamino)-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)NCCC(C)C)NC(=O)C3CCOC3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4/c1-5-25-18(21(27)28-4)17(24-20(26)14-7-9-29-12-14)16-10-15(11-23-19(16)25)22-8-6-13(2)3/h10-11,13-14,22H,5-9,12H2,1-4H3,(H,24,26)