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

Systemtic Name: methyl 3-(furan-2-ylcarbonylamino)-1-methyl-5-[(3-methylphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-(furan-2-carbonylamino)-1-methyl-5-(m-tolylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-1-methyl-5-[(3-methylphenyl)methylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-carbonylamino)-1-methyl-5-[(3-methylphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(2-furoylamino)-1-methyl-5-[(3-methylbenzyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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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)C4=CC=CO4

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)C4=CC=CO4

InChI

InChI=1S/C23H22N4O4/c1-14-6-4-7-15(10-14)12-24-16-11-17-19(26-22(28)18-8-5-9-31-18)20(23(29)30-3)27(2)21(17)25-13-16/h4-11,13,24H,12H2,1-3H3,(H,26,28)