methyl 1-methyl-5-[(4-methyl-4-oxidanyl-pentan-2-yl)amino]-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 1-methyl-5-[(4-methyl-4-oxidanyl-pentan-2-yl)amino]-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(3-hydroxy-1,3-dimethyl-butyl)amino]-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-methyl-3-[(1-oxo-3-phenylpropyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(hydrocinnamoylamino)-5-[(3-hydroxy-1,3-dimethyl-butyl)amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4/c1-16(14-25(2,3)32)27-18-13-19-21(22(24(31)33-5)29(4)23(19)26-15-18)28-20(30)12-11-17-9-7-6-8-10-17/h6-10,13,15-16,27,32H,11-12,14H2,1-5H3,(H,28,30)