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

Systemtic Name: methyl 3-(2-methoxyethanoylamino)-1-methyl-5-[(3-methylphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-[(2-methoxyacetyl)amino]-1-methyl-5-(m-tolylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[(2-methoxy-1-oxoethyl)amino]-1-methyl-5-[(3-methylphenyl)methylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methoxyacetyl)amino]-1-methyl-5-[(3-methylphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-[(2-methoxyacetyl)amino]-1-methyl-5-[(3-methylbenzyl)amino]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:

CC1=CC(=CC=C1)CNC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)COC

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)COC

InChI

InChI=1S/C21H24N4O4/c1-13-6-5-7-14(8-13)10-22-15-9-16-18(24-17(26)12-28-3)19(21(27)29-4)25(2)20(16)23-11-15/h5-9,11,22H,10,12H2,1-4H3,(H,24,26)