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

Systemtic Name: methyl 1-methyl-3-(3-phenylpropanoylamino)-5-(2-phenylpropylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-methyl-3-(3-phenylpropanoylamino)-5-(2-phenylpropylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 1-methyl-3-[(1-oxo-3-phenylpropyl)amino]-5-(2-phenylpropylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-3-(3-phenylpropanoylamino)-5-(2-phenylpropylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(hydrocinnamoylamino)-1-methyl-5-(2-phenylpropylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(CNC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O3/c1-19(21-12-8-5-9-13-21)17-29-22-16-23-25(26(28(34)35-3)32(2)27(23)30-18-22)31-24(33)15-14-20-10-6-4-7-11-20/h4-13,16,18-19,29H,14-15,17H2,1-3H3,(H,31,33)