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

Systemtic Name: methyl 5-(cyclohexylamino)-1-ethyl-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(cyclohexylamino)-1-ethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(cyclohexylamino)-1-ethyl-3-[[oxo(3-oxolanyl)methyl]amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(cyclohexylamino)-1-ethyl-3-(oxolane-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(cyclohexylamino)-1-ethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=CN=C21)NC3CCCCC3)NC(=O)C4CCOC4)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC(=CN=C21)NC3CCCCC3)NC(=O)C4CCOC4)C(=O)OC

InChI

InChI=1S/C22H30N4O4/c1-3-26-19(22(28)29-2)18(25-21(27)14-9-10-30-13-14)17-11-16(12-23-20(17)26)24-15-7-5-4-6-8-15/h11-12,14-15,24H,3-10,13H2,1-2H3,(H,25,27)