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

Systemtic Name: methyl 3-acetamido-5-[(3,4-dimethylphenyl)methylamino]-1-ethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(3,4-dimethylphenyl)methylamino]-1-ethyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-[(3,4-dimethylphenyl)methylamino]-1-ethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-[(3,4-dimethylphenyl)methylamino]-1-ethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(3,4-dimethylbenzyl)amino]-1-ethyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=CN=C21)NCC3=CC(=C(C=C3)C)C)NC(=O)C)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC(=CN=C21)NCC3=CC(=C(C=C3)C)C)NC(=O)C)C(=O)OC

InChI

InChI=1S/C22H26N4O3/c1-6-26-20(22(28)29-5)19(25-15(4)27)18-10-17(12-24-21(18)26)23-11-16-8-7-13(2)14(3)9-16/h7-10,12,23H,6,11H2,1-5H3,(H,25,27)