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

Systemtic Name: methyl 5-(2-ethylbutylamino)-3-(furan-2-ylcarbonylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(2-ethylbutylamino)-3-(furan-2-carbonylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(2-ethylbutylamino)-3-[[2-furanyl(oxo)methyl]amino]-1-methyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(2-ethylbutylamino)-3-(furan-2-carbonylamino)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(2-ethylbutylamino)-3-(2-furoylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)C3=CC=CO3

Isomeric SMILES

CCC(CC)CNC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H26N4O4/c1-5-13(6-2)11-22-14-10-15-17(24-20(26)16-8-7-9-29-16)18(21(27)28-4)25(3)19(15)23-12-14/h7-10,12-13,22H,5-6,11H2,1-4H3,(H,24,26)