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

Systemtic Name: methyl 1-methyl-5-(phenethylamino)-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-methyl-5-(phenethylamino)-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 1-methyl-3-[(1-oxo-3-phenylpropyl)amino]-5-(phenethylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5-(phenethylamino)-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(hydrocinnamoylamino)-1-methyl-5-(phenethylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC(=CN=C21)NCCC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C(=C(C2=CC(=CN=C21)NCCC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H28N4O3/c1-31-25(27(33)34-2)24(30-23(32)14-13-19-9-5-3-6-10-19)22-17-21(18-29-26(22)31)28-16-15-20-11-7-4-8-12-20/h3-12,17-18,28H,13-16H2,1-2H3,(H,30,32)