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

Systemtic Name: methyl 5-(furan-2-ylmethylamino)-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(2-furylmethylamino)-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(2-furanylmethylamino)-3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(furan-2-ylmethylamino)-3-(oxolane-3-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(2-furfurylamino)-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CC=CO4)NC(=O)C5CCOC5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CC=CO4)NC(=O)C5CCOC5

InChI

InChI=1S/C27H28N4O5/c1-34-27(33)24-23(30-26(32)19-10-13-35-17-19)22-14-20(28-16-21-8-5-12-36-21)15-29-25(22)31(24)11-9-18-6-3-2-4-7-18/h2-8,12,14-15,19,28H,9-11,13,16-17H2,1H3,(H,30,32)