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

Systemtic Name: methyl 3-acetamido-1-(3-methylbutyl)-5-[(3-methylphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-1-isopentyl-5-(m-tolylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-(3-methylbutyl)-5-[(3-methylphenyl)methylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-(3-methylbutyl)-5-[(3-methylphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-1-isoamyl-5-[(3-methylbenzyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC2=CN=C3C(=C2)C(=C(N3CCC(C)C)C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=CN=C3C(=C2)C(=C(N3CCC(C)C)C(=O)OC)NC(=O)C

InChI

InChI=1S/C24H30N4O3/c1-15(2)9-10-28-22(24(30)31-5)21(27-17(4)29)20-12-19(14-26-23(20)28)25-13-18-8-6-7-16(3)11-18/h6-8,11-12,14-15,25H,9-10,13H2,1-5H3,(H,27,29)