methyl 1-methyl-5-[(3-methyl-3-oxidanyl-butan-2-yl)amino]-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 1-methyl-5-[(3-methyl-3-oxidanyl-butan-2-yl)amino]-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(2-hydroxy-1,2-dimethyl-propyl)amino]-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-1-methyl-3-[(1-oxo-3-phenylpropyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(hydrocinnamoylamino)-5-[(2-hydroxy-1,2-dimethyl-propyl)amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)O)NC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C(C)(C)O)NC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O4/c1-15(24(2,3)31)26-17-13-18-20(21(23(30)32-5)28(4)22(18)25-14-17)27-19(29)12-11-16-9-7-6-8-10-16/h6-10,13-15,26,31H,11-12H2,1-5H3,(H,27,29)