(phenylmethyl) 4-(4-cyanophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-cyanophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(4-cyanophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-cyanophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-cyanophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-cyanophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C2=CC=C(C=C2)C#N)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C2=CC=C(C=C2)C#N)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O2/c1-14-19(18-10-8-16(12-22)9-11-18)15(2)23-20(14)21(24)25-13-17-6-4-3-5-7-17/h3-11,23H,13H2,1-2H3