ethyl 3-acetamido-4-cyano-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 3-acetamido-4-cyano-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 3-acetamido-1-benzyl-4-cyano-pyrrole-2-carboxylate CAS Name: 3-acetamido-4-cyano-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-acetamido-1-benzyl-4-cyanopyrrole-2-carboxylate Traditional Name: 3-acetamido-1-benzyl-4-cyano-pyrrole-2-carboxylic acid ethyl ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C#N)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C#N)NC(=O)C

InChI

InChI=1S/C17H17N3O3/c1-3-23-17(22)16-15(19-12(2)21)14(9-18)11-20(16)10-13-7-5-4-6-8-13/h4-8,11H,3,10H2,1-2H3,(H,19,21)