methyl 5-(furan-3-ylmethylamino)-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-(furan-3-ylmethylamino)-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(3-furylmethylamino)-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(3-furanylmethylamino)-1-methyl-3-[(1-oxo-3-phenylpropyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(furan-3-ylmethylamino)-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(3-furfurylamino)-3-(hydrocinnamoylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC(=CN=C21)NCC3=COC=C3)NC(=O)CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C(=C(C2=CC(=CN=C21)NCC3=COC=C3)NC(=O)CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H24N4O4/c1-28-22(24(30)31-2)21(27-20(29)9-8-16-6-4-3-5-7-16)19-12-18(14-26-23(19)28)25-13-17-10-11-32-15-17/h3-7,10-12,14-15,25H,8-9,13H2,1-2H3,(H,27,29)