methyl 3-acetamido-1-methyl-5-[(4-methylphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-1-methyl-5-[(4-methylphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-1-methyl-5-(p-tolylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-methyl-5-[(4-methylphenyl)methylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-methyl-5-[(4-methylphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-1-methyl-5-[(4-methylbenzyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c1-12-5-7-14(8-6-12)10-21-15-9-16-17(23-13(2)25)18(20(26)27-4)24(3)19(16)22-11-15/h5-9,11,21H,10H2,1-4H3,(H,23,25)