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

Systemtic Name: methyl 3-acetamido-5-[(4-ethylphenyl)methylamino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(4-ethylphenyl)methylamino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-[(4-ethylphenyl)methylamino]-1-methyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-[(4-ethylphenyl)methylamino]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(4-ethylbenzyl)amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)C

InChI

InChI=1S/C21H24N4O3/c1-5-14-6-8-15(9-7-14)11-22-16-10-17-18(24-13(2)26)19(21(27)28-4)25(3)20(17)23-12-16/h6-10,12,22H,5,11H2,1-4H3,(H,24,26)