methyl 3-acetamido-1-ethyl-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-1-ethyl-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-1-ethyl-5-[[5-(hydroxymethyl)-2-furyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-ethyl-5-[[5-(hydroxymethyl)-2-furanyl]methylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-ethyl-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-1-ethyl-5-[(5-methylol-2-furyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=CN=C21)NCC3=CC=C(O3)CO)NC(=O)C)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC(=CN=C21)NCC3=CC=C(O3)CO)NC(=O)C)C(=O)OC

InChI

InChI=1S/C19H22N4O5/c1-4-23-17(19(26)27-3)16(22-11(2)25)15-7-12(8-21-18(15)23)20-9-13-5-6-14(10-24)28-13/h5-8,20,24H,4,9-10H2,1-3H3,(H,22,25)