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

Systemtic Name: methyl 5-(1-benzofuran-2-ylmethylamino)-1-ethyl-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(benzofuran-2-ylmethylamino)-1-ethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(2-benzofuranylmethylamino)-1-ethyl-3-[[oxo(3-oxolanyl)methyl]amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(1-benzofuran-2-ylmethylamino)-1-ethyl-3-(oxolane-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(benzofuran-2-ylmethylamino)-1-ethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H26N4O5 MolecularWeight: 462.49774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=CN=C21)NCC3=CC4=CC=CC=C4O3)NC(=O)C5CCOC5)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC(=CN=C21)NCC3=CC4=CC=CC=C4O3)NC(=O)C5CCOC5)C(=O)OC

InChI

InChI=1S/C25H26N4O5/c1-3-29-22(25(31)32-2)21(28-24(30)16-8-9-33-14-16)19-11-17(12-27-23(19)29)26-13-18-10-15-6-4-5-7-20(15)34-18/h4-7,10-12,16,26H,3,8-9,13-14H2,1-2H3,(H,28,30)