ethyl 4-ethoxy-2,3-dimethyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-ethoxy-2,3-dimethyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl 1-benzyl-4-ethoxy-2,3-dimethyl-pyrrolo[2,3-b]pyridine-5-carboxylate CAS Name: 4-ethoxy-2,3-dimethyl-1-(phenylmethyl)-5-pyrrolo[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-ethoxy-2,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxylate Traditional Name: 1-benzyl-4-ethoxy-2,3-dimethyl-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(N(C2=NC=C1C(=O)OCC)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC1=C2C(=C(N(C2=NC=C1C(=O)OCC)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H24N2O3/c1-5-25-19-17(21(24)26-6-2)12-22-20-18(19)14(3)15(4)23(20)13-16-10-8-7-9-11-16/h7-12H,5-6,13H2,1-4H3