cyanomethyl 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: cyanomethyl 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: cyanomethyl 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid cyanomethyl ester Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC#N

InChI

InChI=1S/C16H16N2O2/c1-12-10-15(16(19)20-9-8-17)13(2)18(12)11-14-6-4-3-5-7-14/h3-7,10H,9,11H2,1-2H3