methyl 3-acetamido-1-ethyl-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-1-ethyl-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-1-ethyl-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-ethyl-5-(2-methylbutylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-ethyl-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-1-ethyl-5-(2-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=CN=C2C(=C1)C(=C(N2CC)C(=O)OC)NC(=O)C

Isomeric SMILES

CCC(C)CNC1=CN=C2C(=C1)C(=C(N2CC)C(=O)OC)NC(=O)C

InChI

InChI=1S/C18H26N4O3/c1-6-11(3)9-19-13-8-14-15(21-12(4)23)16(18(24)25-5)22(7-2)17(14)20-10-13/h8,10-11,19H,6-7,9H2,1-5H3,(H,21,23)