(2-cyanophenyl)methyl 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (2-cyanophenyl)methyl 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid (2-cyanobenzyl) ester Formula: C21H17FN2O2 MolecularWeight: 348.370283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H17FN2O2/c1-14-11-20(15(2)24(14)19-9-7-18(22)8-10-19)21(25)26-13-17-6-4-3-5-16(17)12-23/h3-11H,13H2,1-2H3