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

Systemtic Name: methyl 3-(2-methoxyethanoylamino)-1-methyl-5-(phenethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-[(2-methoxyacetyl)amino]-1-methyl-5-(phenethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[(2-methoxy-1-oxoethyl)amino]-1-methyl-5-(phenethylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methoxyacetyl)amino]-1-methyl-5-(phenethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-[(2-methoxyacetyl)amino]-1-methyl-5-(phenethylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-25-19(21(27)29-3)18(24-17(26)13-28-2)16-11-15(12-23-20(16)25)22-10-9-14-7-5-4-6-8-14/h4-8,11-12,22H,9-10,13H2,1-3H3,(H,24,26)