diethyl 2-acetamido-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)propanedioate

Systemtic Name: diethyl 2-acetamido-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)propanedioate Openeye Name: diethyl 2-acetamido-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)propanedioate CAS Name: 2-acetamido-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)propanedioate Traditional Name: 2-acetamido-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)malonic acid diethyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=C1C=CC=N2)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=C1C=CC=N2)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C17H21N3O5/c1-4-24-15(22)17(20-11(3)21,16(23)25-5-2)9-12-10-19-14-13(12)7-6-8-18-14/h6-8,10H,4-5,9H2,1-3H3,(H,18,19)(H,20,21)