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

Systemtic Name: methyl 1-methyl-5-(4-oxidanylbutan-2-ylamino)-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(3-hydroxy-1-methyl-propyl)amino]-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(4-hydroxybutan-2-ylamino)-1-methyl-3-[(1-oxo-3-phenylpropyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-hydroxybutan-2-ylamino)-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(hydrocinnamoylamino)-5-[(3-hydroxy-1-methyl-propyl)amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-15(11-12-28)25-17-13-18-20(21(23(30)31-3)27(2)22(18)24-14-17)26-19(29)10-9-16-7-5-4-6-8-16/h4-8,13-15,25,28H,9-12H2,1-3H3,(H,26,29)