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

Systemtic Name: methyl 4-(4-cyanophenyl)-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 4-(4-cyanophenyl)-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-(4-cyanophenyl)-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyanophenyl)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-(4-cyanophenyl)-1-(4-fluorobenzyl)-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C22H19FN2O2 MolecularWeight: 362.396863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=C(C=C2)F)C)C(=O)OC)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=C(C=C2)F)C)C(=O)OC)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H19FN2O2/c1-14-20(18-8-4-16(12-24)5-9-18)21(22(26)27-3)15(2)25(14)13-17-6-10-19(23)11-7-17/h4-11H,13H2,1-3H3