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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-[(1-oxo-3-phenylpropyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(hydrocinnamoylamino)-1-methyl-5-(piperonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC(=CN=C21)NCC3=CC4=C(C=C3)OCO4)NC(=O)CCC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CN1C(=C(C2=CC(=CN=C21)NCC3=CC4=C(C=C3)OCO4)NC(=O)CCC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C27H26N4O5/c1-31-25(27(33)34-2)24(30-23(32)11-9-17-6-4-3-5-7-17)20-13-19(15-29-26(20)31)28-14-18-8-10-21-22(12-18)36-16-35-21/h3-8,10,12-13,15,28H,9,11,14,16H2,1-2H3,(H,30,32)