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

Systemtic Name: methyl 3-acetamido-5-[(4-ethoxyphenyl)methylamino]-1-ethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(4-ethoxyphenyl)methylamino]-1-ethyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-[(4-ethoxyphenyl)methylamino]-1-ethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-[(4-ethoxyphenyl)methylamino]-1-ethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(4-ethoxybenzyl)amino]-1-ethyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-5-26-20(22(28)29-4)19(25-14(3)27)18-11-16(13-24-21(18)26)23-12-15-7-9-17(10-8-15)30-6-2/h7-11,13,23H,5-6,12H2,1-4H3,(H,25,27)