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

Systemtic Name: methyl 3-acetamido-1-methyl-5-(2-methylpropylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(isobutylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-methyl-5-(2-methylpropylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-methyl-5-(2-methylpropylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(isobutylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3/c1-9(2)7-17-11-6-12-13(19-10(3)21)14(16(22)23-5)20(4)15(12)18-8-11/h6,8-9,17H,7H2,1-5H3,(H,19,21)