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

Systemtic Name: methyl 3-acetamido-5-[(4-ethoxyphenyl)methylamino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(4-ethoxyphenyl)methylamino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-[(4-ethoxyphenyl)methylamino]-1-methyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-[(4-ethoxyphenyl)methylamino]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(4-ethoxybenzyl)amino]-1-methyl-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:

CCOC1=CC=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)C

InChI

InChI=1S/C21H24N4O4/c1-5-29-16-8-6-14(7-9-16)11-22-15-10-17-18(24-13(2)26)19(21(27)28-4)25(3)20(17)23-12-15/h6-10,12,22H,5,11H2,1-4H3,(H,24,26)