methyl 3-acetamido-1-methyl-5-(4-oxidanylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-1-methyl-5-(4-oxidanylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(3-hydroxy-1-methyl-propyl)amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-(4-hydroxybutan-2-ylamino)-1-methyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-(4-hydroxybutan-2-ylamino)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(3-hydroxy-1-methyl-propyl)amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)NC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)C

Isomeric SMILES

CC(CCO)NC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)C

InChI

InChI=1S/C16H22N4O4/c1-9(5-6-21)18-11-7-12-13(19-10(2)22)14(16(23)24-4)20(3)15(12)17-8-11/h7-9,18,21H,5-6H2,1-4H3,(H,19,22)