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

Systemtic Name: ethyl 3-cyano-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl 1-benzyl-3-cyano-pyrrolo[2,3-b]pyridine-5-carboxylate CAS Name: 3-cyano-1-(phenylmethyl)-5-pyrrolo[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-cyanopyrrolo[2,3-b]pyridine-5-carboxylate Traditional Name: 1-benzyl-3-cyano-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C18H15N3O2 MolecularWeight: 305.3306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1)C(=CN2CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1)C(=CN2CC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H15N3O2/c1-2-23-18(22)14-8-16-15(9-19)12-21(17(16)20-10-14)11-13-6-4-3-5-7-13/h3-8,10,12H,2,11H2,1H3