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

Systemtic Name: methyl 3-(oxolan-3-ylcarbonylamino)-1-phenethyl-5-(pyridin-3-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-phenethyl-5-(3-pyridylmethylamino)-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-5-(3-pyridinylmethylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(oxolane-3-carbonylamino)-1-phenethyl-5-(pyridin-3-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-phenethyl-5-(3-pyridylmethylamino)-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CN=CC=C4)NC(=O)C5CCOC5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CN=CC=C4)NC(=O)C5CCOC5

InChI

InChI=1S/C28H29N5O4/c1-36-28(35)25-24(32-27(34)21-10-13-37-18-21)23-14-22(30-16-20-8-5-11-29-15-20)17-31-26(23)33(25)12-9-19-6-3-2-4-7-19/h2-8,11,14-15,17,21,30H,9-10,12-13,16,18H2,1H3,(H,32,34)