methyl 4-cyano-1-phenethyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-cyano-1-phenethyl-pyrrole-2-carboxylate Openeye Name: methyl 4-cyano-1-phenethyl-pyrrole-2-carboxylate CAS Name: 4-cyano-1-phenethyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-1-phenethylpyrrole-2-carboxylate Traditional Name: 4-cyano-1-phenethyl-pyrrole-2-carboxylic acid methyl ester Formula: C15H14N2O2 MolecularWeight: 254.28386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1CCC2=CC=CC=C2)C#N

Isomeric SMILES

COC(=O)C1=CC(=CN1CCC2=CC=CC=C2)C#N

InChI

InChI=1S/C15H14N2O2/c1-19-15(18)14-9-13(10-16)11-17(14)8-7-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3