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

Systemtic Name: methyl 5-[(2-chlorophenyl)methylamino]-1-ethyl-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(2-chlorophenyl)methylamino]-1-ethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(2-chlorophenyl)methylamino]-1-ethyl-3-[[oxo(3-oxolanyl)methyl]amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-chlorophenyl)methylamino]-1-ethyl-3-(oxolane-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(2-chlorobenzyl)amino]-1-ethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H25ClN4O4 MolecularWeight: 456.922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=CN=C21)NCC3=CC=CC=C3Cl)NC(=O)C4CCOC4)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC(=CN=C21)NCC3=CC=CC=C3Cl)NC(=O)C4CCOC4)C(=O)OC

InChI

InChI=1S/C23H25ClN4O4/c1-3-28-20(23(30)31-2)19(27-22(29)15-8-9-32-13-15)17-10-16(12-26-21(17)28)25-11-14-6-4-5-7-18(14)24/h4-7,10,12,15,25H,3,8-9,11,13H2,1-2H3,(H,27,29)